2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine

C20H22N4O — CID 112899230

IUPAC2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCCN(CC)c1nccc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H22N4O/c1-3-24(4-2)20-21-15-14-19(23-20)22-16-10-12-18(13-11-16)25-17-8-6-5-7-9-17/h5-15H,3-4H2,1-2H3,(H,21,22,23)
InChIKeyVPQABVIAHDYYBD-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.86
Rot. Bonds7

About 2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine

2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112899230) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112899230
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCCN(CC)c1nccc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H22N4O/c1-3-24(4-2)20-21-15-14-19(23-20)22-16-10-12-18(13-11-16)25-17-8-6-5-7-9-17/h5-15H,3-4H2,1-2H3,(H,21,22,23)
InChIKeyVPQABVIAHDYYBD-UHFFFAOYSA-N
XLogP4.86
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-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

2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112902142
[4-(4-phenoxyanilino)pyrimidin-2-yl]methanol
CID 175988564
4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902126
2-N-butyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883119
2-N-[2-(dimethylamino)ethyl]-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887236
2-(2-methylprop-2-enyl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 170619915
2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112903553
5-N-(4-phenoxyphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960998
2-N,2-N-diethyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112899225
4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937737
1-[4-[[2-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905673
4-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906255

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine (CID 112899230) is 2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine is CCN(CC)c1nccc(Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is VPQABVIAHDYYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-24(4-2)20-21-15-14-19(23-20)22-16-10-12-18(13-11-16)25-17-8-6-5-7-9-17/h5-15H,3-4H2,1-2H3,(H,21,22,23).
What are the key properties of 2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).