N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide

C20H20N4O — CID 109347068

IUPACN-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1cccc(CNc2cc(C(=O)Nc3ccccc3C)ncn2)c1
InChIInChI=1S/C20H20N4O/c1-14-6-5-8-16(10-14)12-21-19-11-18(22-13-23-19)20(25)24-17-9-4-3-7-15(17)2/h3-11,13H,12H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyGKOFZORJGBDQGH-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.96
Rot. Bonds5

About N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109347068) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109347068
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1cccc(CNc2cc(C(=O)Nc3ccccc3C)ncn2)c1
InChIInChI=1S/C20H20N4O/c1-14-6-5-8-16(10-14)12-21-19-11-18(22-13-23-19)20(25)24-17-9-4-3-7-15(17)2/h3-11,13H,12H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyGKOFZORJGBDQGH-UHFFFAOYSA-N
XLogP3.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide 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-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109352420
N-(2,5-dimethylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347317
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109347033
N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340281
6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109348709
N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347135
N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350181
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
N-(3-methylphenyl)-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346825
N-(3-methylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347311

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109347068) is N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide is Cc1cccc(CNc2cc(C(=O)Nc3ccccc3C)ncn2)c1.
What is the InChIKey of N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is GKOFZORJGBDQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-6-5-8-16(10-14)12-21-19-11-18(22-13-23-19)20(25)24-17-9-4-3-7-15(17)2/h3-11,13H,12H2,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109347068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).