4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile

C19H15ClN4 — CID 1480433

IUPAC4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile
SMILESCN(C)c1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C19H15ClN4/c1-24(2)19-16(12-21)17(13-8-10-15(20)11-9-13)22-18(23-19)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyAZOPECUUMRZTJY-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.40
Rot. Bonds3

About 4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile

4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile (PubChem CID 1480433) has the molecular formula C19H15ClN4 and a molecular weight of 334.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile
PubChem CID1480433
Molecular FormulaC19H15ClN4
Molecular Weight334.81 g/mol
Exact Mass334.10
IUPAC Name4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile
SMILESCN(C)c1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C19H15ClN4/c1-24(2)19-16(12-21)17(13-8-10-15(20)11-9-13)22-18(23-19)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyAZOPECUUMRZTJY-UHFFFAOYSA-N
XLogP4.40
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile 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

Pyrimethamine
CID 4993
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine
CID 10126186
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 10172375
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-fluorophenyl)pyrimidin-4-amine
CID 10286977
5-(4-Chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine
CID 23423608
4-Amino-2,6-diphenylpyrimidine-5-carbonitrile
CID 2303947
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine
CID 10172376

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile (CID 1480433) is 4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile is CN(C)c1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1C#N.
What is the InChIKey of 4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile?
The InChIKey is AZOPECUUMRZTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4/c1-24(2)19-16(12-21)17(13-8-10-15(20)11-9-13)22-18(23-19)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile?
4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile has a molecular weight of 334.81 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 1480433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).