6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine

C14H13ClN6S — CID 22546640

IUPAC6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(Nc3nccs3)c2N)cc1Cl
InChIInChI=1S/C14H13ClN6S/c1-8-2-3-9(6-10(8)15)20-12-11(16)13(19-7-18-12)21-14-17-4-5-22-14/h2-7H,16H2,1H3,(H2,17,18,19,20,21)
InChIKeyIDLREDLLLVMZJT-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.96
Rot. Bonds4

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

6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 22546640) has the molecular formula C14H13ClN6S and a molecular weight of 332.82 g/mol. Its IUPAC name is 6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
PubChem CID22546640
Molecular FormulaC14H13ClN6S
Molecular Weight332.82 g/mol
Exact Mass332.06
IUPAC Name6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(Nc3nccs3)c2N)cc1Cl
InChIInChI=1S/C14H13ClN6S/c1-8-2-3-9(6-10(8)15)20-12-11(16)13(19-7-18-12)21-14-17-4-5-22-14/h2-7H,16H2,1H3,(H2,17,18,19,20,21)
InChIKeyIDLREDLLLVMZJT-UHFFFAOYSA-N
XLogP3.96
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19147555
6-N-(2,5-dimethylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22547046
2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine
CID 164658462
6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine
CID 86022400
6-N-benzyl-4-N-(3-chloro-4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546566
ethyl 4-[[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate
CID 19146330
6-N-(3-chloro-4-methylphenyl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544026
6-N-(3-chloro-4-methylphenyl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22546620
4-[[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide
CID 22546622
4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22540289
6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135239
4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546746

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (CID 22546640) is 6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is Cc1ccc(Nc2ncnc(Nc3nccs3)c2N)cc1Cl.
What is the InChIKey of 6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is IDLREDLLLVMZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6S/c1-8-2-3-9(6-10(8)15)20-12-11(16)13(19-7-18-12)21-14-17-4-5-22-14/h2-7H,16H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 332.82 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22546640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).