N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C13H13N3O3 — CID 110698232

IUPACN-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C13H13N3O3/c1-8-2-4-9(5-3-8)7-14-12(18)10-6-11(17)16-13(19)15-10/h2-6H,7H2,1H3,(H,14,18)(H2,15,16,17,19)
InChIKeyXEEZGGKMEGLWJC-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.30
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 110698232) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID110698232
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C13H13N3O3/c1-8-2-4-9(5-3-8)7-14-12(18)10-6-11(17)16-13(19)15-10/h2-6H,7H2,1H3,(H,14,18)(H2,15,16,17,19)
InChIKeyXEEZGGKMEGLWJC-UHFFFAOYSA-N
XLogP0.30
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-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-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 114332464
N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698237
N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 61413769
7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 108791679
4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 39904436
2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide
CID 62659763
3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 84578399
N-[(4-methylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880688
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536
4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide
CID 54336586
2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide
CID 100638141

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 110698232) is N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cc1ccc(CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is XEEZGGKMEGLWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-2-4-9(5-3-8)7-14-12(18)10-6-11(17)16-13(19)15-10/h2-6H,7H2,1H3,(H,14,18)(H2,15,16,17,19).
What are the key properties of N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110698232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).