2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide

C14H15N3O3 — CID 110698304

IUPAC2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H15N3O3/c1-8(2)9-5-3-4-6-10(9)15-13(19)11-7-12(18)17-14(20)16-11/h3-8H,1-2H3,(H,15,19)(H2,16,17,18,20)
InChIKeyOCCIKEHYSMAEPL-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.44
Rot. Bonds3

About 2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide

2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide (PubChem CID 110698304) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide
PubChem CID110698304
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H15N3O3/c1-8(2)9-5-3-4-6-10(9)15-13(19)11-7-12(18)17-14(20)16-11/h3-8H,1-2H3,(H,15,19)(H2,16,17,18,20)
InChIKeyOCCIKEHYSMAEPL-UHFFFAOYSA-N
XLogP1.44
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,4-dioxo-N-(2-propan-2-ylphenyl)-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-propan-2-ylphenyl)benzamide
CID 723391
4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 43642811
2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid
CID 134433696
3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid
CID 104739610
N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698333
N-(2-propan-2-ylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881659
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
CID 61092144
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
4-(methylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 62185459
4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62081566
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide (CID 110698304) is 2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide is CC(C)c1ccccc1NC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide?
The InChIKey is OCCIKEHYSMAEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8(2)9-5-3-4-6-10(9)15-13(19)11-7-12(18)17-14(20)16-11/h3-8H,1-2H3,(H,15,19)(H2,16,17,18,20).
What are the key properties of 2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide?
2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110698304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).