2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide

C20H20N4O3 — CID 109255477

IUPAC2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCc3ccccc3)nc2)c(OC)c1
InChIInChI=1S/C20H20N4O3/c1-26-16-8-9-17(18(10-16)27-2)24-19(25)15-12-22-20(23-13-15)21-11-14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyGWDNMMDXRVEIAP-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.36
Rot. Bonds7

About 2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide

2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109255477) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109255477
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCc3ccccc3)nc2)c(OC)c1
InChIInChI=1S/C20H20N4O3/c1-26-16-8-9-17(18(10-16)27-2)24-19(25)15-12-22-20(23-13-15)21-11-14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyGWDNMMDXRVEIAP-UHFFFAOYSA-N
XLogP3.36
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(benzylamino)-N-(2,4-dimethoxyphenyl)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-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256303
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
2-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109258498
2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267314
2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109249144
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325
N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554519
N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235436
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
5-[benzyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109233239
N-(2,4-dimethoxyphenyl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188808

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide (CID 109255477) is 2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(NCc3ccccc3)nc2)c(OC)c1.
What is the InChIKey of 2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is GWDNMMDXRVEIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-16-8-9-17(18(10-16)27-2)24-19(25)15-12-22-20(23-13-15)21-11-14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide?
2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).