2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide

C21H22N4O — CID 109305030

IUPAC2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccnc(N(C)Cc3ccccc3)n2)c1
InChIInChI=1S/C21H22N4O/c1-15-9-10-16(2)19(13-15)23-20(26)18-11-12-22-21(24-18)25(3)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,23,26)
InChIKeyKRZVAZIXKWPBHF-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.98
Rot. Bonds5

About 2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide

2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109305030) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109305030
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccnc(N(C)Cc3ccccc3)n2)c1
InChIInChI=1S/C21H22N4O/c1-15-9-10-16(2)19(13-15)23-20(26)18-11-12-22-21(24-18)25(3)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,23,26)
InChIKeyKRZVAZIXKWPBHF-UHFFFAOYSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109311637
2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305094
2-[benzyl(methyl)amino]-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305096
2-[benzyl(methyl)amino]-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305098
6-N-benzyl-2-N-(2,5-dimethylphenyl)-6-N-ethylpyridine-2,6-dicarboxamide
CID 109098095
2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109305045
N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314210
2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109256795
N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213674
2-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305785
6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558433
N-(2,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109309308

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide (CID 109305030) is 2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide is Cc1ccc(C)c(NC(=O)c2ccnc(N(C)Cc3ccccc3)n2)c1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is KRZVAZIXKWPBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-9-10-16(2)19(13-15)23-20(26)18-11-12-22-21(24-18)25(3)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,23,26).
What are the key properties of 2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109305030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).