N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C13H13N3O3 — CID 121025213

IUPACN-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C13H13N3O3/c1-16-12(18)10(8-15-13(16)19)11(17)14-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,17)(H,15,19)
InChIKeyRIBSQTOLYNTALW-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.00
Rot. Bonds3

About N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121025213) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121025213
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC NameN-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C13H13N3O3/c1-16-12(18)10(8-15-13(16)19)11(17)14-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,17)(H,15,19)
InChIKeyRIBSQTOLYNTALW-UHFFFAOYSA-N
XLogP0.00
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-methyl-2,4-dioxo-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

3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 121025333
3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide
CID 95366506
N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025253
3-methyl-2,4-dioxo-N-(1-phenylethyl)-1H-pyrimidine-5-carboxamide
CID 56766080
2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 166322105
N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide
CID 14444896
N-benzyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633090
N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 119440340
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
N-benzyl-4-cyano-1H-pyrrole-3-carboxamide
CID 59478029
(2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 119360480
N-[(4-methylphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026068

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121025213) is N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)NCc2ccccc2)c1=O.
What is the InChIKey of N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RIBSQTOLYNTALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-16-12(18)10(8-15-13(16)19)11(17)14-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,17)(H,15,19).
What are the key properties of N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).