N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C14H15N3O2 — CID 110857421

IUPACN-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(C)c(C)c2)c(=O)[nH]1
InChIInChI=1S/C14H15N3O2/c1-8-4-5-11(6-9(8)2)17-14(19)12-7-15-10(3)16-13(12)18/h4-7H,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyZGAPJXQBSZKFBU-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.95
Rot. Bonds2

About N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110857421) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110857421
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(C)c(C)c2)c(=O)[nH]1
InChIInChI=1S/C14H15N3O2/c1-8-4-5-11(6-9(8)2)17-14(19)12-7-15-10(3)16-13(12)18/h4-7H,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyZGAPJXQBSZKFBU-UHFFFAOYSA-N
XLogP1.95
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110859395
N-(3,4-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857420
N-(3,4-dimethylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497549
N-(3,4-dimethylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236774
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648629
N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864734
N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide
CID 163590509
N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864497
2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 90647553
N-(3-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115701467
N-(3,4-dimethylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147318

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110857421) is N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(C)c(C)c2)c(=O)[nH]1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ZGAPJXQBSZKFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-4-5-11(6-9(8)2)17-14(19)12-7-15-10(3)16-13(12)18/h4-7H,1-3H3,(H,17,19)(H,15,16,18).
What are the key properties of N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110857421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).