1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione

C23H24N2O3 — CID 5280007

IUPAC1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccccc2)c1
InChIInChI=1S/C23H24N2O3/c1-14(2)19-20(21(26)18-11-15(3)10-16(4)12-18)25(23(28)24-22(19)27)13-17-8-6-5-7-9-17/h5-12,14H,13H2,1-4H3,(H,24,27,28)
InChIKeyXZKWHOTXDXTUIM-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.56
Rot. Bonds5

About 1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione

1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 5280007) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID5280007
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccccc2)c1
InChIInChI=1S/C23H24N2O3/c1-14(2)19-20(21(26)18-11-15(3)10-16(4)12-18)25(23(28)24-22(19)27)13-17-8-6-5-7-9-17/h5-12,14H,13H2,1-4H3,(H,24,27,28)
InChIKeyXZKWHOTXDXTUIM-UHFFFAOYSA-N
XLogP3.56
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione 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

Ainuovirine
CID 25215428
Iqp-0528
CID 483499
SJ-3366
CID 474597
3-Methyl-5-{[5-(1-Methylethyl)-2,6-Dioxo-3-Propyl-1,2,3,6-Tetrahydropyrimidin-4-Yl]carbonyl}benzonitrile
CID 25212989
3-{[3-Butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
CID 25212990
1-(Cyclopenten-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione
CID 483495
1-Benzyl-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 16023510
5-acetyl-4,6-diphenyl-3,4-dihydro-2(1H)-pyrimidinone
CID 2987521
N-[1-(4-Methyl-piperidine-1-carbonyl)-2-phenyl-vinyl]-benzamide
CID 5391769
N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-methylbenzamide
CID 3159467
3-[2-(4-Ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4790937
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide
CID 4791036

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 5280007) is 1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione is Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is XZKWHOTXDXTUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-14(2)19-20(21(26)18-11-15(3)10-16(4)12-18)25(23(28)24-22(19)27)13-17-8-6-5-7-9-17/h5-12,14H,13H2,1-4H3,(H,24,27,28).
What are the key properties of 1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione?
1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 376.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 5280007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).