6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine

C15H13ClN6 — CID 19145427

IUPAC6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccnc2)ncnc1Nc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN6/c16-10-3-1-4-11(7-10)21-14-13(17)15(20-9-19-14)22-12-5-2-6-18-8-12/h1-9H,17H2,(H2,19,20,21,22)
InChIKeyDJNAEEFQYRPNTM-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.59
Rot. Bonds4

About 6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine

6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine (PubChem CID 19145427) has the molecular formula C15H13ClN6 and a molecular weight of 312.76 g/mol. Its IUPAC name is 6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
PubChem CID19145427
Molecular FormulaC15H13ClN6
Molecular Weight312.76 g/mol
Exact Mass312.09
IUPAC Name6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccnc2)ncnc1Nc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN6/c16-10-3-1-4-11(7-10)21-14-13(17)15(20-9-19-14)22-12-5-2-6-18-8-12/h1-9H,17H2,(H2,19,20,21,22)
InChIKeyDJNAEEFQYRPNTM-UHFFFAOYSA-N
XLogP3.59
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145485
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22540968
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19147078
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835
6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22547831
4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145503
4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542701
4-N-(3-chlorophenyl)-3-N-methyl-3-N-pyridin-3-yl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
CID 21190644
4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136585

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine (CID 19145427) is 6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine is Nc1c(Nc2cccnc2)ncnc1Nc1cccc(Cl)c1.
What is the InChIKey of 6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The InChIKey is DJNAEEFQYRPNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6/c16-10-3-1-4-11(7-10)21-14-13(17)15(20-9-19-14)22-12-5-2-6-18-8-12/h1-9H,17H2,(H2,19,20,21,22).
What are the key properties of 6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine has a molecular weight of 312.76 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19145427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).