2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide

C20H19N3O3 — CID 3473471

IUPAC2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C20H19N3O3/c1-13(2)14-8-10-15(11-9-14)22-18(24)17-12-21-20(26)23(19(17)25)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,21,26)(H,22,24)
InChIKeyRIEDBPGGRPYZFE-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.90
Rot. Bonds4

About 2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide

2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide (PubChem CID 3473471) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
PubChem CID3473471
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C20H19N3O3/c1-13(2)14-8-10-15(11-9-14)22-18(24)17-12-21-20(26)23(19(17)25)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,21,26)(H,22,24)
InChIKeyRIEDBPGGRPYZFE-UHFFFAOYSA-N
XLogP2.90
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-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-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025257
N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 3473028
N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 16815209
N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 4098818
methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137362
N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137416
3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 7137355
methyl 4-[[3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137421
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4113283
N-(4-carbamoylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5096654
N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7080837
N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028331

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide (CID 3473471) is 2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide is CC(C)c1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is RIEDBPGGRPYZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13(2)14-8-10-15(11-9-14)22-18(24)17-12-21-20(26)23(19(17)25)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,21,26)(H,22,24).
What are the key properties of 2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3473471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).