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

C21H22N4O — CID 109256795

IUPAC2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N(C)Cc3ccccc3)nc2)c(C)c1
InChIInChI=1S/C21H22N4O/c1-15-9-10-19(16(2)11-15)24-20(26)18-12-22-21(23-13-18)25(3)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,24,26)
InChIKeyGONPNTWRJMYWKQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.98
Rot. Bonds5

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

2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109256795) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109256795
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N(C)Cc3ccccc3)nc2)c(C)c1
InChIInChI=1S/C21H22N4O/c1-15-9-10-19(16(2)11-15)24-20(26)18-12-22-21(23-13-18)25(3)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,24,26)
InChIKeyGONPNTWRJMYWKQ-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

N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109266377
2-[benzyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109256817
2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109256820
2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109256874
ethyl 2-[[2-[benzyl(methyl)amino]pyrimidine-5-carbonyl]amino]benzoate
CID 109256866
2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246891
N-(2,4-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255994
1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305030
N-(1,3-benzodioxol-5-yl)-2-[benzyl(methyl)amino]pyrimidine-5-carboxamide
CID 109256853
2-[benzyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carboxamide
CID 109256854
2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248842

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide (CID 109256795) is 2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(N(C)Cc3ccccc3)nc2)c(C)c1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is GONPNTWRJMYWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-9-10-19(16(2)11-15)24-20(26)18-12-22-21(23-13-18)25(3)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,24,26).
What are the key properties of 2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-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-(2,4-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).