4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine

C16H15ClN6 — CID 19147077

IUPAC4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)c1
InChIInChI=1S/C16H15ClN6/c1-10-3-2-4-12(7-10)22-15-14(18)16(21-9-20-15)23-13-6-5-11(17)8-19-13/h2-9H,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyLKOPMZYXOIJCEA-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.90
Rot. Bonds4

About 4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine

4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19147077) has the molecular formula C16H15ClN6 and a molecular weight of 326.79 g/mol. Its IUPAC name is 4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID19147077
Molecular FormulaC16H15ClN6
Molecular Weight326.79 g/mol
Exact Mass326.10
IUPAC Name4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)c1
InChIInChI=1S/C16H15ClN6/c1-10-3-2-4-12(7-10)22-15-14(18)16(21-9-20-15)23-13-6-5-11(17)8-19-13/h2-9H,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyLKOPMZYXOIJCEA-UHFFFAOYSA-N
XLogP3.90
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19147078
6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148236
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543893
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544968
acetylene;6-chloro-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 142993577
5-chloro-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 79021710
4-N-(5-chloro-2-pyridinyl)-6-N-(4-iodophenyl)pyrimidine-4,5,6-triamine
CID 19147083
6-N-(5-chloro-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144597
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540285
6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22540995

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (CID 19147077) is 4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)c1.
What is the InChIKey of 4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is LKOPMZYXOIJCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6/c1-10-3-2-4-12(7-10)22-15-14(18)16(21-9-20-15)23-13-6-5-11(17)8-19-13/h2-9H,18H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 326.79 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19147077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).