N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide

C20H20N4O — CID 109305157

IUPACN-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)N(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-15-8-10-17(11-9-15)22-20-21-13-12-18(23-20)19(25)24(2)14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,21,22,23)
InChIKeyYJKAYYLJOKINSA-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.80
Rot. Bonds5

About N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide

N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109305157) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
PubChem CID109305157
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)N(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-15-8-10-17(11-9-15)22-20-21-13-12-18(23-20)19(25)24(2)14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,21,22,23)
InChIKeyYJKAYYLJOKINSA-UHFFFAOYSA-N
XLogP3.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-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-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109305156
ethyl 4-[[4-[benzyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109305222
N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313994
N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305166
N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305170
N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314005
N-benzyl-N-methyl-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109281071
N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296718
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109313399
N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide
CID 109305113
N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109304481

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide (CID 109305157) is N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide is Cc1ccc(Nc2nccc(C(=O)N(C)Cc3ccccc3)n2)cc1.
What is the InChIKey of N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is YJKAYYLJOKINSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-8-10-17(11-9-15)22-20-21-13-12-18(23-20)19(25)24(2)14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,21,22,23).
What are the key properties of N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide?
N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109305157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).