N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide

C21H22N4O — CID 42670152

IUPACN-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(-c2ccccc2)nc1N(C)C
InChIInChI=1S/C21H22N4O/c1-24(2)20-18(14-22-19(23-20)17-12-8-5-9-13-17)21(26)25(3)15-16-10-6-4-7-11-16/h4-14H,15H2,1-3H3
InChIKeyAACYMWILBZUPSA-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.48
Rot. Bonds5

About N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide

N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide (PubChem CID 42670152) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide
PubChem CID42670152
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(-c2ccccc2)nc1N(C)C
InChIInChI=1S/C21H22N4O/c1-24(2)20-18(14-22-19(23-20)17-12-8-5-9-13-17)21(26)25(3)15-16-10-6-4-7-11-16/h4-14H,15H2,1-3H3
InChIKeyAACYMWILBZUPSA-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-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-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide
CID 42670112
4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 42670139
1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]-2,2,2-trifluoroethanone
CID 59517575
N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 42670299
4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 42670143
prop-2-ynyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate
CID 59517613
N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72873937
4-[benzyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylpyrimidine-5-carboxylic acid
CID 141298259
4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide
CID 42670141
(3-chlorophenyl) 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate
CID 59517790
[4-(dimethylamino)-2-phenylpyrimidin-5-yl]-phenylmethanol
CID 59517634
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide (CID 42670152) is N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc(-c2ccccc2)nc1N(C)C.
What is the InChIKey of N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide?
The InChIKey is AACYMWILBZUPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-24(2)20-18(14-22-19(23-20)17-12-8-5-9-13-17)21(26)25(3)15-16-10-6-4-7-11-16/h4-14H,15H2,1-3H3.
What are the key properties of N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide?
N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 42670152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).