2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine

C23H20N4O — CID 112902142

IUPAC2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1nccc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C23H20N4O/c1-27(19-8-4-2-5-9-19)23-24-17-16-22(26-23)25-18-12-14-21(15-13-18)28-20-10-6-3-7-11-20/h2-17H,1H3,(H,24,25,26)
InChIKeyGXWKRISOYGOBJS-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.78
Rot. Bonds6

About 2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine

2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112902142) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112902142
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1nccc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C23H20N4O/c1-27(19-8-4-2-5-9-19)23-24-17-16-22(26-23)25-18-12-14-21(15-13-18)28-20-10-6-3-7-11-20/h2-17H,1H3,(H,24,25,26)
InChIKeyGXWKRISOYGOBJS-UHFFFAOYSA-N
XLogP5.78
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-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

4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902126
2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112899230
4-N-(4-bromo-3-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902148
2-N-[2-(dimethylamino)ethyl]-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887236
2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112903553
[4-(4-phenoxyanilino)pyrimidin-2-yl]methanol
CID 175988564
1-[4-[[2-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905673
2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 170619915
4-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906255
2-N-butyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883119
[4-(4-phenoxyanilino)pyrimidin-2-yl]methyl N,N-dimethylcarbamimidate
CID 177284291
4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112887032

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine (CID 112902142) is 2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine is CN(c1ccccc1)c1nccc(Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is GXWKRISOYGOBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-27(19-8-4-2-5-9-19)23-24-17-16-22(26-23)25-18-12-14-21(15-13-18)28-20-10-6-3-7-11-20/h2-17H,1H3,(H,24,25,26).
What are the key properties of 2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine?
2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 368.44 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112902142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).