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Pyrimidines And Derivatives

Aromatic organic compounds that consist of an aromatic six-membered ring containing two non-adjacent nitrogen atoms and four carbon atoms; includes compounds derived from pyrimidines.

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1 – 15 of 30 results
2

2-Mercaptopyrimidine, 98%

CAS: 1450-85-7 Molecular Formula: C4H4N2S Molecular Weight (g/mol): 112.15 MDL Number: MFCD00006073 InChI Key: HBCQSNAFLVXVAY-UHFFFAOYSA-N Synonym: 2-mercaptopyrimidine,pyrimidine-2-thiol,2-pyrimidinethiol,2-thiopyrimidine,pyrimidine-2 1h-thione,2 1h-pyrimidinethione,pyrimidinethione,2-pyrimidinethione,2-pyrimidinethiol 9ci,2-1h-pyrimidinthione PubChem CID: 1550489 ChEBI: CHEBI:53576 IUPAC Name: 1H-pyrimidine-2-thione SMILES: C1=CNC(=S)N=C1

PubChem CID 1550489
CAS 1450-85-7
Molecular Weight (g/mol) 112.15
ChEBI CHEBI:53576
MDL Number MFCD00006073
SMILES C1=CNC(=S)N=C1
Synonym 2-mercaptopyrimidine,pyrimidine-2-thiol,2-pyrimidinethiol,2-thiopyrimidine,pyrimidine-2 1h-thione,2 1h-pyrimidinethione,pyrimidinethione,2-pyrimidinethione,2-pyrimidinethiol 9ci,2-1h-pyrimidinthione
IUPAC Name 1H-pyrimidine-2-thione
InChI Key HBCQSNAFLVXVAY-UHFFFAOYSA-N
Molecular Formula C4H4N2S
4

4-Amino-2-mercaptopyrimidine, 97%

CAS: 333-49-3 Molecular Formula: C4H5N3S Molecular Weight (g/mol): 127.17 InChI Key: DCPSTSVLRXOYGS-UHFFFAOYSA-N Synonym: 2-thiocytosine,4-amino-2-mercaptopyrimidine,thiocytosine,4-aminopyrimidine-2-thiol,cytosine, thio,cytosine, 2-thio,2 1h-pyrimidinethione, 4-amino,2 1h-pyrimidinone, 4-aminothio,4-amino-2 1h-pyrimidinethione,4-amino-2-thiopyrimidine PubChem CID: 2724245 IUPAC Name: 6-amino-1H-pyrimidine-2-thione SMILES: C1=C(NC(=S)N=C1)N

PubChem CID 2724245
CAS 333-49-3
Molecular Weight (g/mol) 127.17
SMILES C1=C(NC(=S)N=C1)N
Synonym 2-thiocytosine,4-amino-2-mercaptopyrimidine,thiocytosine,4-aminopyrimidine-2-thiol,cytosine, thio,cytosine, 2-thio,2 1h-pyrimidinethione, 4-amino,2 1h-pyrimidinone, 4-aminothio,4-amino-2 1h-pyrimidinethione,4-amino-2-thiopyrimidine
IUPAC Name 6-amino-1H-pyrimidine-2-thione
InChI Key DCPSTSVLRXOYGS-UHFFFAOYSA-N
Molecular Formula C4H5N3S
5

4,6-Dichloro-2-(methylthio)pyrimidine, 98%

CAS: 6299-25-8 Molecular Formula: C5H4Cl2N2S Molecular Weight (g/mol): 195.07 MDL Number: MFCD00006086 InChI Key: FCMLONIWOAGZJX-UHFFFAOYSA-N Synonym: 4,6-dichloro-2-methylthio pyrimidine,4,6-dichloro-2-methylmercaptopyrimidine,4,6-dichloro-2-methylsulfanyl-pyrimidine,4,6-dichloro-2-methylthiopyrimidine,pyrimidine, 4,6-dichloro-2-methylthio,4,6-dichloro-2-methylsulfanyl pyrimidine,4,6-dichloropyrimidine methyl sulphide,2-methylthio-4,6-dichloropyrimidine,pubchem21477 PubChem CID: 80531 IUPAC Name: 4,6-dichloro-2-methylsulfanylpyrimidine SMILES: CSC1=NC(=CC(=N1)Cl)Cl

PubChem CID 80531
CAS 6299-25-8
Molecular Weight (g/mol) 195.07
MDL Number MFCD00006086
SMILES CSC1=NC(=CC(=N1)Cl)Cl
Synonym 4,6-dichloro-2-methylthio pyrimidine,4,6-dichloro-2-methylmercaptopyrimidine,4,6-dichloro-2-methylsulfanyl-pyrimidine,4,6-dichloro-2-methylthiopyrimidine,pyrimidine, 4,6-dichloro-2-methylthio,4,6-dichloro-2-methylsulfanyl pyrimidine,4,6-dichloropyrimidine methyl sulphide,2-methylthio-4,6-dichloropyrimidine,pubchem21477
IUPAC Name 4,6-dichloro-2-methylsulfanylpyrimidine
InChI Key FCMLONIWOAGZJX-UHFFFAOYSA-N
Molecular Formula C5H4Cl2N2S
6

4-Amino-6-chloro-2-methylmercaptopyrimidine, 97%

CAS: 1005-38-5 Molecular Formula: C5H6ClN3S Molecular Weight (g/mol): 175.64 MDL Number: MFCD00006088 InChI Key: ISUXMAHVLFRZQU-UHFFFAOYSA-N Synonym: 4-amino-6-chloro-2-methylthio pyrimidine,4-amino-6-chloro-2-methylmercaptopyrimidine,4-pyrimidinamine, 6-chloro-2-methylthio,6-chloro-2-methylsulfanyl pyrimidin-4-amine,6-chloro-2-methylthio pyrimidin-4-amine,pyrimidine, 4-amino-6-chloro-2-methylthio,4-amino-6-chloro-2-methylthiopyrimidine,6-chloro-2-methylthiopyrimidin-4-ylamine,6-amino-4-chloro-2-methylmercaptopyrimidine,6-chloro-2-methylsulfanyl-pyrimidin-4-amine PubChem CID: 70496 IUPAC Name: 6-chloro-2-methylsulfanylpyrimidin-4-amine SMILES: CSC1=NC(=CC(=N1)Cl)N

PubChem CID 70496
CAS 1005-38-5
Molecular Weight (g/mol) 175.64
MDL Number MFCD00006088
SMILES CSC1=NC(=CC(=N1)Cl)N
Synonym 4-amino-6-chloro-2-methylthio pyrimidine,4-amino-6-chloro-2-methylmercaptopyrimidine,4-pyrimidinamine, 6-chloro-2-methylthio,6-chloro-2-methylsulfanyl pyrimidin-4-amine,6-chloro-2-methylthio pyrimidin-4-amine,pyrimidine, 4-amino-6-chloro-2-methylthio,4-amino-6-chloro-2-methylthiopyrimidine,6-chloro-2-methylthiopyrimidin-4-ylamine,6-amino-4-chloro-2-methylmercaptopyrimidine,6-chloro-2-methylsulfanyl-pyrimidin-4-amine
IUPAC Name 6-chloro-2-methylsulfanylpyrimidin-4-amine
InChI Key ISUXMAHVLFRZQU-UHFFFAOYSA-N
Molecular Formula C5H6ClN3S
7

Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate, 98%

CAS: 5909-24-0 Molecular Formula: C8H9ClN2O2S Molecular Weight (g/mol): 232.68 MDL Number: MFCD00006085 InChI Key: SNNHLSHDDGJVDM-UHFFFAOYSA-N Synonym: ethyl 4-chloro-2-methylthio pyrimidine-5-carboxylate,ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate,ethyl 4-chloro-2-methylthiopyrimidine-5-carboxylate,4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester,ethyl 4-chloro-2-methylsulfanyl pyrimidine-5-carboxylate,2-methylthio-4-chloro-5-ethoxycarbonylpyrimidine,4-chloro-5-carbethoxy-2-methylthiopyrimidine,5-pyrimidinecarboxylic acid, 4-chloro-2-methylthio-, ethyl ester,4-chloro-2-methylthio pyrimidine-5-carboxylic acid ethyl ester,4-chloro-2-methylsulfanylpyrimidine-5-carboxylic acid ethyl ester PubChem CID: 80008 IUPAC Name: ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN=C(N=C1Cl)SC

PubChem CID 80008
CAS 5909-24-0
Molecular Weight (g/mol) 232.68
MDL Number MFCD00006085
SMILES CCOC(=O)C1=CN=C(N=C1Cl)SC
Synonym ethyl 4-chloro-2-methylthio pyrimidine-5-carboxylate,ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate,ethyl 4-chloro-2-methylthiopyrimidine-5-carboxylate,4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester,ethyl 4-chloro-2-methylsulfanyl pyrimidine-5-carboxylate,2-methylthio-4-chloro-5-ethoxycarbonylpyrimidine,4-chloro-5-carbethoxy-2-methylthiopyrimidine,5-pyrimidinecarboxylic acid, 4-chloro-2-methylthio-, ethyl ester,4-chloro-2-methylthio pyrimidine-5-carboxylic acid ethyl ester,4-chloro-2-methylsulfanylpyrimidine-5-carboxylic acid ethyl ester
IUPAC Name ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate
InChI Key SNNHLSHDDGJVDM-UHFFFAOYSA-N
Molecular Formula C8H9ClN2O2S
8

LDC000067, MedChemExpress

MedChemExpress LDC000067 is a highly specific CDK9 inhibitor with an IC50 value of 44±10 nM in vitro.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 370.43
Color Off-White
Physical Form Solid
Chemical Name or Material LDC000067
Grade Research
SMILES O=S(CC1=CC=CC(NC2=NC=NC(C3=CC=CC=C3OC)=C2)=C1)(N)=O
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.58%
CAS 1073485-20-7
Solubility Information DMSO : ≥ 47 mg/mL (126.88 mM)
Synonym LDC067
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C18H18N4O3S
Formula Weight 370.43
9

CZ415, MedChemExpress

MedChemExpress CZ415 is a potent and highly selective mTOR inhibitor with a pIC50 of 8.07. CZ415 inhibits mTORC1 and mTORC2 protein complex.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 459.56
Color Off-White
Physical Form Solid
Chemical Name or Material CZ415
Grade Research
SMILES O=C(NCC)NC(C=C1)=CC=C1C2=NC3=C(CS(C3(C)C)(=O)=O)C(N4[C@@H](C)COCC4)=N2
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.74%
CAS 1429639-50-8
Solubility Information DMSO : 100 mg/mL (217.60 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C22H29N5O4S
Formula Weight 459.56
10

EED226, MedChemExpress

MedChemExpress EED226 is a polycomb repressive complex 2 (PRC2) inhibitor, which binds to the K27me3-pocket on embryonic ectoderm development (EED) and shows strong antitumor activity in xenograft mice model. EED226 is a potent, selective, and orally bioavailable EED inhibitor. EED226 inhibits PRC2 with an IC50 of 23.4 nM when the H3K27me0 peptide is used as a substrate in the in vitro enzymatic assays.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 369.4
Color Off-White
Physical Form Solid
Chemical Name or Material EED226
Grade Research
SMILES O=S(C1=CC=C(C2=CN=C(NCC3=CC=CO3)N4C2=NN=C4)C=C1)(C)=O
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.61%
CAS 2083627-02-3
Solubility Information DMSO : ≥ 29 mg/mL (78.51 mM)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C17H15N5O3S
Formula Weight 369.4
11

AZ20, MedChemExpress

MedChemExpress AZ20 is a potent and selective inhibitor of ATR with an IC50 of 5 nM, and has 8-fold selectivity against mTOR (IC50=38 nM).

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 412.51
Color Off-White
Physical Form Solid
Chemical Name or Material AZ20
Grade Research
SMILES O=S(C1(C2=CC(N3[C@H](C)COCC3)=NC(C4=CC=CC5=C4C=CN5)=N2)CC1)(C)=O
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.92%
CAS 1233339-22-4
Solubility Information DMSO : ≥ 100 mg/mL (242.42 mM)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C21H24N4O3S
Formula Weight 412.51
12

NIH-12848, MedChemExpress

MedChemExpress NIH-12848 is a putative phosphatidylinositol 5-phosphate 4-kinase γ (PI5P4Kγ) inhibitor with an IC50 of 1 μM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 385.41
Color White
Physical Form Solid
Chemical Name or Material NIH-12848
Grade Research
SMILES FC(C1=CC=CC=C1C2=NC(NCC3=CC=CS3)=C4C=CC=CC4=N2)(F)F
For Use With (Application) COVID-19-immunoregulation
Percent Purity 98.06%
CAS 959551-10-1
Solubility Information DMSO : ≥ 100 mg/mL (259.46 mM)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C20H14F3N3S
Formula Weight 385.41
13

CNX-1351, MedChemExpress

MedChemExpress CNX-1351 is a potent and isoform-selective targeted covalent PI3Kα inhibitor with IC50 of 6.8 nM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 573.71
Color White
Physical Form Solid
Chemical Name or Material CNX-1351
Grade Research
SMILES C/C(C)=C/C(CCC(N1CCN(CC2=CC3=NC(C4=CC=CC5=C4C=NN5)=NC(N6CCOCC6)=C3S2)CC1)=O)=O
For Use With (Application) Cancer-Kinase/protease
Percent Purity 96.74%
CAS 1276105-89-5
Solubility Information DMSO : 100 mg/mL (174.30 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C30H35N7O3S
Formula Weight 573.71
14

Org41841, MedChemExpress

MedChemExpress Org41841 is a partial agonist of both luteinizing hormone/chorionic gonadotropin receptor (LHCGR) and thyroid-stimulating hormone receptor (TSHR) with EC50s of 0.2 and 7.7 μM, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 402.53
Color Yellow
Physical Form Powder
Chemical Name or Material Org41841
Grade Research
SMILES O=C(C1=C(N)C2=C(C3=CC=CC(OC)=C3)N=C(SC)N=C2S1)NC(C)(C)C
For Use With (Application) Metabolism-protein/nucleotide metabolism
Percent Purity 99.46%
CAS 301847-37-0
Solubility Information DMSO : 100 mg/mL (248.43 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C19H22N4O2S2
Formula Weight 402.53
15

BEBT-908, MedChemExpress

MedChemExpress BEBT-908 (PI3Kα inhibitor 1) is a selective PI3Kα inhibitor extracted from patent US/20120088764A1, Compound 243, has an IC5050≤1 μM) .

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 507.57
Color Off-White
Physical Form Solid
Chemical Name or Material BEBT-908
Grade Research
SMILES CN(CC1=CC(N=C(C2=CN=C(NC)C=C2)N=C3N4CCOCC4)=C3S1)C5=NC=C(C(NO)=O)C=N5
For Use With (Application) Cancer-Kinase/protease
Percent Purity 99.14%
CAS 1235449-52-1
Solubility Information DMSO : ≥ 37 mg/mL (72.90 mM)
Synonym PI3Kα inhibitor 1
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C23H25N9O3S
Formula Weight 507.57