6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine

C15H15ClN6S — CID 19148355

IUPAC6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCc1nc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)sc1C
InChIInChI=1S/C15H15ClN6S/c1-8-9(2)23-15(20-8)22-14-12(17)13(18-7-19-14)21-11-5-3-4-10(16)6-11/h3-7H,17H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyQEQQBGDLFDRHSM-UHFFFAOYSA-N
MW346.85 g/mol
LogP4.27
Rot. Bonds4

About 6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine

6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 19148355) has the molecular formula C15H15ClN6S and a molecular weight of 346.85 g/mol. Its IUPAC name is 6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
PubChem CID19148355
Molecular FormulaC15H15ClN6S
Molecular Weight346.85 g/mol
Exact Mass346.08
IUPAC Name6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCc1nc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)sc1C
InChIInChI=1S/C15H15ClN6S/c1-8-9(2)23-15(20-8)22-14-12(17)13(18-7-19-14)21-11-5-3-4-10(16)6-11/h3-7H,17H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyQEQQBGDLFDRHSM-UHFFFAOYSA-N
XLogP4.27
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.85
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(3-chloro-4-fluorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19149642
6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 23477554
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149673
6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144885
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144759
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149615
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835
6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19147078
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541918

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (CID 19148355) is 6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is Cc1nc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)sc1C.
What is the InChIKey of 6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is QEQQBGDLFDRHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6S/c1-8-9(2)23-15(20-8)22-14-12(17)13(18-7-19-14)21-11-5-3-4-10(16)6-11/h3-7H,17H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 346.85 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19148355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).