N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C13H13N3O3 — CID 110857337

IUPACN-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C13H13N3O3/c1-7-3-4-8(2)10(5-7)15-11(17)9-6-14-13(19)16-12(9)18/h3-6H,1-2H3,(H,15,17)(H2,14,16,18,19)
InChIKeyBTCBRYWQMRACEN-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.93
Rot. Bonds2

About N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 110857337) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID110857337
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC NameN-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C13H13N3O3/c1-7-3-4-8(2)10(5-7)15-11(17)9-6-14-13(19)16-12(9)18/h3-6H,1-2H3,(H,15,17)(H2,14,16,18,19)
InChIKeyBTCBRYWQMRACEN-UHFFFAOYSA-N
XLogP0.93
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-4-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 71852752
N-(2,5-dimethylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497845
N-(2,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857335
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 28773270
N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110864096
N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43599993
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
CID 28773366
N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64786362
5-bromo-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 62073266
N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 8712515
N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide
CID 110691132
4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
CID 8867620

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 110857337) is N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cc1ccc(C)c(NC(=O)c2c[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is BTCBRYWQMRACEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-7-3-4-8(2)10(5-7)15-11(17)9-6-14-13(19)16-12(9)18/h3-6H,1-2H3,(H,15,17)(H2,14,16,18,19).
What are the key properties of N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110857337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).