6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine

C16H16N6O — CID 22543892

IUPAC6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESCOc1cccc(Nc2ncnc(Nc3ccccn3)c2N)c1
InChIInChI=1S/C16H16N6O/c1-23-12-6-4-5-11(9-12)21-15-14(17)16(20-10-19-15)22-13-7-2-3-8-18-13/h2-10H,17H2,1H3,(H2,18,19,20,21,22)
InChIKeyBTAZHHIGKFAKOQ-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.95
Rot. Bonds5

About 6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine

6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine (PubChem CID 22543892) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
PubChem CID22543892
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESCOc1cccc(Nc2ncnc(Nc3ccccn3)c2N)c1
InChIInChI=1S/C16H16N6O/c1-23-12-6-4-5-11(9-12)21-15-14(17)16(20-10-19-15)22-13-7-2-3-8-18-13/h2-10H,17H2,1H3,(H2,18,19,20,21,22)
InChIKeyBTAZHHIGKFAKOQ-UHFFFAOYSA-N
XLogP2.95
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.95
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
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146951
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
4-N,6-N-dipyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146945
6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 22543827
6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543956
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19147057
4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980
methyl 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 22543914
4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22543846
4-N-(6-methyl-2-pyridinyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22542345

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine (CID 22543892) is 6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine is COc1cccc(Nc2ncnc(Nc3ccccn3)c2N)c1.
What is the InChIKey of 6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The InChIKey is BTAZHHIGKFAKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-23-12-6-4-5-11(9-12)21-15-14(17)16(20-10-19-15)22-13-7-2-3-8-18-13/h2-10H,17H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine has a molecular weight of 308.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22543892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).