N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C13H13N3O2 — CID 110851137

IUPACN-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C13H13N3O2/c1-16(8-10-5-3-2-4-6-10)13(18)11-7-14-9-15-12(11)17/h2-7,9H,8H2,1H3,(H,14,15,17)
InChIKeyLFNXUJDZEAGORF-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.04
Rot. Bonds3

About N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110851137) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110851137
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C13H13N3O2/c1-16(8-10-5-3-2-4-6-10)13(18)11-7-14-9-15-12(11)17/h2-7,9H,8H2,1H3,(H,14,15,17)
InChIKeyLFNXUJDZEAGORF-UHFFFAOYSA-N
XLogP1.04
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide
CID 70720481
N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
CID 123395094
N-benzyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110851115
N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 25474038
N,N-dibenzyl-1H-imidazole-5-carboxamide
CID 141124431
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide
CID 23368261
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
N-[2-(3-ethoxyphenyl)-2-hydroxyethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110128838
N-benzyl-N-methyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 42843972
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110851137) is N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc[nH]c1=O.
What is the InChIKey of N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LFNXUJDZEAGORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16(8-10-5-3-2-4-6-10)13(18)11-7-14-9-15-12(11)17/h2-7,9H,8H2,1H3,(H,14,15,17).
What are the key properties of N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110851137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).