N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C20H18N4O4 — CID 46989148

IUPACN-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C20H18N4O4/c1-11-4-3-5-12(2)17(11)24-18(26)13-6-8-14(9-7-13)21-19(27)15-10-16(25)23-20(28)22-15/h3-10H,1-2H3,(H,21,27)(H,24,26)(H2,22,23,25,28)
InChIKeyDYPYPMJOZNMTRN-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.18
Rot. Bonds4

About N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 46989148) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID46989148
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C20H18N4O4/c1-11-4-3-5-12(2)17(11)24-18(26)13-6-8-14(9-7-13)21-19(27)15-10-16(25)23-20(28)22-15/h3-10H,1-2H3,(H,21,27)(H,24,26)(H2,22,23,25,28)
InChIKeyDYPYPMJOZNMTRN-UHFFFAOYSA-N
XLogP2.18
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-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-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698333
methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 9396061
N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 64792716
N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60636479
N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698301
N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43601896
N-(2,6-dimethylphenyl)-4-sulfanylbenzamide
CID 107021367
N-(2,6-dimethylphenyl)-4-(propylamino)benzamide
CID 62166423
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333180
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60805045

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 46989148) is N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is DYPYPMJOZNMTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-11-4-3-5-12(2)17(11)24-18(26)13-6-8-14(9-7-13)21-19(27)15-10-16(25)23-20(28)22-15/h3-10H,1-2H3,(H,21,27)(H,24,26)(H2,22,23,25,28).
What are the key properties of N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 46989148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).