4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine

C17H16N4O — CID 22432844

IUPAC4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1
InChIInChI=1S/C17H16N4O/c1-22-15-9-7-14(8-10-15)21-17-11-16(18-12-19-17)20-13-5-3-2-4-6-13/h2-12H,1H3,(H2,18,19,20,21)
InChIKeyXMEYJIADPGSYPN-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.97
Rot. Bonds5

About 4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine

4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine (PubChem CID 22432844) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine
PubChem CID22432844
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1
InChIInChI=1S/C17H16N4O/c1-22-15-9-7-14(8-10-15)21-17-11-16(18-12-19-17)20-13-5-3-2-4-6-13/h2-12H,1H3,(H2,18,19,20,21)
InChIKeyXMEYJIADPGSYPN-UHFFFAOYSA-N
XLogP3.97
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine (CID 22432844) is 4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine is COc1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine?
The InChIKey is XMEYJIADPGSYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-15-9-7-14(8-10-15)21-17-11-16(18-12-19-17)20-13-5-3-2-4-6-13/h2-12H,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine?
4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine has a molecular weight of 292.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 22432844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).