N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide

C13H13N3O2 — CID 110857507

IUPACN-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc[nH]c2=O)c1
InChIInChI=1S/C13H13N3O2/c1-8-3-9(2)5-10(4-8)16-13(18)11-6-14-7-15-12(11)17/h3-7H,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyFLJQDPQQTUINHT-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.64
Rot. Bonds2

About N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide

N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110857507) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110857507
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc[nH]c2=O)c1
InChIInChI=1S/C13H13N3O2/c1-8-3-9(2)5-10(4-8)16-13(18)11-6-14-7-15-12(11)17/h3-7H,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyFLJQDPQQTUINHT-UHFFFAOYSA-N
XLogP1.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-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-(3,4-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857420
N-(2,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857335
N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857850
N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864862
N-(3,5-dimethylphenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068321
N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 83408824
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702050
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
2-acetamido-N-(3,5-dimethylphenyl)benzamide
CID 3348341
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104938593

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 110857507) is N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide is Cc1cc(C)cc(NC(=O)c2cnc[nH]c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FLJQDPQQTUINHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-3-9(2)5-10(4-8)16-13(18)11-6-14-7-15-12(11)17/h3-7H,1-2H3,(H,16,18)(H,14,15,17).
What are the key properties of N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110857507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).