6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine

C17H16N4O — CID 19147718

IUPAC6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
SMILESCc1ccc(Oc2ncnc(Nc3ccccc3)c2N)cc1
InChIInChI=1S/C17H16N4O/c1-12-7-9-14(10-8-12)22-17-15(18)16(19-11-20-17)21-13-5-3-2-4-6-13/h2-11H,18H2,1H3,(H,19,20,21)
InChIKeyJXSYAIZQBXEYQO-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.90
Rot. Bonds4

About 6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine

6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine (PubChem CID 19147718) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
PubChem CID19147718
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
SMILESCc1ccc(Oc2ncnc(Nc3ccccc3)c2N)cc1
InChIInChI=1S/C17H16N4O/c1-12-7-9-14(10-8-12)22-17-15(18)16(19-11-20-17)21-13-5-3-2-4-6-13/h2-11H,18H2,1H3,(H,19,20,21)
InChIKeyJXSYAIZQBXEYQO-UHFFFAOYSA-N
XLogP3.90
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592
4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19149235
4-N-(4-butoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19143062
6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148333
4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 19152653
4-[(5-amino-6-phenoxypyrimidin-4-yl)amino]benzoic acid
CID 19152597
4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144376
4-N-(3,5-dimethylphenyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine
CID 22540925
N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide
CID 19152106
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
4-N-(3-bromophenyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22540817
6-(4-chloro-3-methylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148294

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine?
The IUPAC name of 6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine (CID 19147718) is 6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine is Cc1ccc(Oc2ncnc(Nc3ccccc3)c2N)cc1.
What is the InChIKey of 6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine?
The InChIKey is JXSYAIZQBXEYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-7-9-14(10-8-12)22-17-15(18)16(19-11-20-17)21-13-5-3-2-4-6-13/h2-11H,18H2,1H3,(H,19,20,21).
What are the key properties of 6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine?
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine has a molecular weight of 292.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine is sourced from PubChem (CID 19147718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).