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

C16H15ClN6O — CID 19147076

IUPAC4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccccc1Nc1ncnc(Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C16H15ClN6O/c1-24-12-5-3-2-4-11(12)22-15-14(18)16(21-9-20-15)23-13-7-6-10(17)8-19-13/h2-9H,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyMWXLTDFKZYSJBI-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.60
Rot. Bonds5

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

4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19147076) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19147076
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccccc1Nc1ncnc(Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C16H15ClN6O/c1-24-12-5-3-2-4-11(12)22-15-14(18)16(21-9-20-15)23-13-7-6-10(17)8-19-13/h2-9H,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyMWXLTDFKZYSJBI-UHFFFAOYSA-N
XLogP3.60
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(5-chloro-2-pyridinyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543893
4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144325
4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540285
6-N-(5-chloro-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144597
6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148143
4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148201
6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544968
6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539816
4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141766
6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19147078
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147077
6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140961

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine (CID 19147076) is 4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine is COc1ccccc1Nc1ncnc(Nc2ccc(Cl)cn2)c1N.
What is the InChIKey of 4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is MWXLTDFKZYSJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c1-24-12-5-3-2-4-11(12)22-15-14(18)16(21-9-20-15)23-13-7-6-10(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-(2-methoxyphenyl)pyrimidine-4,5,6-triamine?
4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 342.79 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19147076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).