4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine

C17H16ClN5 — CID 19148233

IUPAC4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)c1
InChIInChI=1S/C17H16ClN5/c1-11-4-2-6-13(8-11)22-16-15(19)17(21-10-20-16)23-14-7-3-5-12(18)9-14/h2-10H,19H2,1H3,(H2,20,21,22,23)
InChIKeyQWDSUKZREDBTOO-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.51
Rot. Bonds4

About 4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine

4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19148233) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID19148233
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC Name4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)c1
InChIInChI=1S/C17H16ClN5/c1-11-4-2-6-13(8-11)22-16-15(19)17(21-10-20-16)23-14-7-3-5-12(18)9-14/h2-10H,19H2,1H3,(H2,20,21,22,23)
InChIKeyQWDSUKZREDBTOO-UHFFFAOYSA-N
XLogP4.51
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148236
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
acetylene;6-chloro-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 142993577
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147077
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19148358
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
5-chloro-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 79021710
6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19148355
6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19147078
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835
6-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 63735421

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (CID 19148233) is 4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)c1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is QWDSUKZREDBTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-11-4-2-6-13(8-11)22-16-15(19)17(21-10-20-16)23-14-7-3-5-12(18)9-14/h2-10H,19H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 325.80 g/mol, XLogP of 4.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19148233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).