N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide

C21H21ClN4O — CID 109257482

IUPACN-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C21H21ClN4O/c1-2-26(15-16-8-4-3-5-9-16)20(27)18-13-24-21(25-14-18)23-12-17-10-6-7-11-19(17)22/h3-11,13-14H,2,12,15H2,1H3,(H,23,24,25)
InChIKeyNINOPKSRIWKAKO-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.40
Rot. Bonds7

About N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide

N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide (PubChem CID 109257482) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide
PubChem CID109257482
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C21H21ClN4O/c1-2-26(15-16-8-4-3-5-9-16)20(27)18-13-24-21(25-14-18)23-12-17-10-6-7-11-19(17)22/h3-11,13-14H,2,12,15H2,1H3,(H,23,24,25)
InChIKeyNINOPKSRIWKAKO-UHFFFAOYSA-N
XLogP4.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-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-benzyl-2-(3-chloro-2-methylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258381
N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258372
N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256485
N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
CID 109250486
2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109257493
2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57380747
2-[(2-chlorophenyl)methylamino]-N-pentylpyrimidine-5-carboxamide
CID 109257503
N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258364
N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
CID 100750102
N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109248845
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109257696

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide (CID 109257482) is N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide is CCN(Cc1ccccc1)C(=O)c1cnc(NCc2ccccc2Cl)nc1.
What is the InChIKey of N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide?
The InChIKey is NINOPKSRIWKAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-2-26(15-16-8-4-3-5-9-16)20(27)18-13-24-21(25-14-18)23-12-17-10-6-7-11-19(17)22/h3-11,13-14H,2,12,15H2,1H3,(H,23,24,25).
What are the key properties of N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide?
N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109257482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).