4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile

C19H16N4O — CID 166632784

IUPAC4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
SMILESCNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(OC)c2)n1
InChIInChI=1S/C19H16N4O/c1-21-19-22-17(13-7-4-3-5-8-13)16(12-20)18(23-19)14-9-6-10-15(11-14)24-2/h3-11H,1-2H3,(H,21,22,23)
InChIKeyDRBHUGDRIPBTOO-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.73
Rot. Bonds4

About 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile

4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166632784) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
PubChem CID166632784
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
SMILESCNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(OC)c2)n1
InChIInChI=1S/C19H16N4O/c1-21-19-22-17(13-7-4-3-5-8-13)16(12-20)18(23-19)14-9-6-10-15(11-14)24-2/h3-11H,1-2H3,(H,21,22,23)
InChIKeyDRBHUGDRIPBTOO-UHFFFAOYSA-N
XLogP3.73
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-methoxyphenyl)-2-(methylamino)-6-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

Zotiraciclib
CID 16739650
6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
5-[3-[3-(3,5-Dimethylphenyl)-5-methoxy-phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25195124
5-[3-[3-Methoxy-5-(p-tolyl)phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25195125
5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 25093369
5-[(3s)-3-(2-Methoxybiphenyl-4-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine
CID 25195365
5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 44144378
5-((3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl)-6-methylpyrimidine-2,4-diamine
CID 44144379
5-((3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl)-6-methylpyrimidine-2,4-diamine
CID 44144380
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
2,4-Diaminopyrimidine derivative, 10b
CID 11166495
5-[3-(3-Methoxy-5-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25093361

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile (CID 166632784) is 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile is CNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(OC)c2)n1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is DRBHUGDRIPBTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-21-19-22-17(13-7-4-3-5-8-13)16(12-20)18(23-19)14-9-6-10-15(11-14)24-2/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166632784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).