5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione

C13H18N2O4 — CID 80648817

IUPAC5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCC2CCCO2)c(=O)n(C)c1=O
InChIInChI=1S/C13H18N2O4/c1-9(16)11-8-15(13(18)14(2)12(11)17)6-5-10-4-3-7-19-10/h8,10H,3-7H2,1-2H3
InChIKeyBDWVCVABUCJZMD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.32
Rot. Bonds4

About 5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione

5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 80648817) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
PubChem CID80648817
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCC2CCCO2)c(=O)n(C)c1=O
InChIInChI=1S/C13H18N2O4/c1-9(16)11-8-15(13(18)14(2)12(11)17)6-5-10-4-3-7-19-10/h8,10H,3-7H2,1-2H3
InChIKeyBDWVCVABUCJZMD-UHFFFAOYSA-N
XLogP0.32
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-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

2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid
CID 79874687
5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 166647748
1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one
CID 116625132
5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 80501981
1-[2-(oxan-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 106003570
6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
CID 114582299
3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522716
3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 106934183
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one
CID 82520976
4-nitro-1-[2-(oxolan-2-yl)ethyl]pyrrole-2-carboxylic acid
CID 65162891
4-bromo-1-[2-(oxan-2-yl)ethyl]pyrrole-2-carboxylic acid
CID 106003546

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione (CID 80648817) is 5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione is CC(=O)c1cn(CCC2CCCO2)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is BDWVCVABUCJZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(16)11-8-15(13(18)14(2)12(11)17)6-5-10-4-3-7-19-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione?
5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80648817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).