N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

C20H20N4O — CID 109259537

IUPACN-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NCCc3ccccc3)nc2)c1
InChIInChI=1S/C20H20N4O/c1-15-6-5-9-18(12-15)24-19(25)17-13-22-20(23-14-17)21-11-10-16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyQAKZNGFVQPFWJV-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.69
Rot. Bonds6

About N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109259537) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109259537
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NCCc3ccccc3)nc2)c1
InChIInChI=1S/C20H20N4O/c1-15-6-5-9-18(12-15)24-19(25)17-13-22-20(23-14-17)21-11-10-16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyQAKZNGFVQPFWJV-UHFFFAOYSA-N
XLogP3.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-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

N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259587
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255987
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259606
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588
5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106204
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260172
N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247938
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259621
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 109259537) is N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(NCCc3ccccc3)nc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is QAKZNGFVQPFWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-6-5-9-18(12-15)24-19(25)17-13-22-20(23-14-17)21-11-10-16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).