N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide

C22H24N4O — CID 109258364

IUPACN-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(Nc2cccc(C)c2C)nc1
InChIInChI=1S/C22H24N4O/c1-4-26(15-18-10-6-5-7-11-18)21(27)19-13-23-22(24-14-19)25-20-12-8-9-16(2)17(20)3/h5-14H,4,15H2,1-3H3,(H,23,24,25)
InChIKeyILNDBYVPDUCTMN-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.50
Rot. Bonds6

About N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide

N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide (PubChem CID 109258364) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide
PubChem CID109258364
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(Nc2cccc(C)c2C)nc1
InChIInChI=1S/C22H24N4O/c1-4-26(15-18-10-6-5-7-11-18)21(27)19-13-23-22(24-14-19)25-20-12-8-9-16(2)17(20)3/h5-14H,4,15H2,1-3H3,(H,23,24,25)
InChIKeyILNDBYVPDUCTMN-UHFFFAOYSA-N
XLogP4.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-(2,3-dimethylanilino)-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-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258397
N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256485
N-benzyl-2-(3,4-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258399
N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
CID 109250486
2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109260609
N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide
CID 109257482
N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305166
N-benzyl-2-(2-fluoroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256680
5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238786
2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260348

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide (CID 109258364) is N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide is CCN(Cc1ccccc1)C(=O)c1cnc(Nc2cccc(C)c2C)nc1.
What is the InChIKey of N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide?
The InChIKey is ILNDBYVPDUCTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-26(15-18-10-6-5-7-11-18)21(27)19-13-23-22(24-14-19)25-20-12-8-9-16(2)17(20)3/h5-14H,4,15H2,1-3H3,(H,23,24,25).
What are the key properties of N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide?
N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109258364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).