N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide

C13H13N3O — CID 83408824

IUPACN-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncnc2)c1
InChIInChI=1S/C13H13N3O/c1-9-3-10(2)5-12(4-9)16-13(17)11-6-14-8-15-7-11/h3-8H,1-2H3,(H,16,17)
InChIKeyAQFVVGUGROMTFC-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.35
Rot. Bonds2

About N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide

N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 83408824) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID83408824
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncnc2)c1
InChIInChI=1S/C13H13N3O/c1-9-3-10(2)5-12(4-9)16-13(17)11-6-14-8-15-7-11/h3-8H,1-2H3,(H,16,17)
InChIKeyAQFVVGUGROMTFC-UHFFFAOYSA-N
XLogP2.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
N-(4-aminophenyl)pyrimidine-5-carboxamide
CID 102921228
N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223059
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102567
5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243019
N-(3-aminophenyl)pyrimidine-5-carboxamide
CID 102921225
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide
CID 109242288
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006
5-N-cycloheptyl-3-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109107035

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide (CID 83408824) is N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide is Cc1cc(C)cc(NC(=O)c2cncnc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is AQFVVGUGROMTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-3-10(2)5-12(4-9)16-13(17)11-6-14-8-15-7-11/h3-8H,1-2H3,(H,16,17).
What are the key properties of N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 83408824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).