6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione

C8H10N2O3 — CID 58482877

IUPAC6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-4(2)7(12)5-3-6(11)10-8(13)9-5/h3-4H,1-2H3,(H2,9,10,11,13)
InChIKeyUAJVPIYCCWFXKI-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.10
Rot. Bonds2

About 6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione

6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione (PubChem CID 58482877) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
PubChem CID58482877
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-4(2)7(12)5-3-6(11)10-8(13)9-5/h3-4H,1-2H3,(H2,9,10,11,13)
InChIKeyUAJVPIYCCWFXKI-UHFFFAOYSA-N
XLogP-0.10
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(2-methylpropanoyl)-1H-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

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione (CID 58482877) is 6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione is CC(C)C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione?
The InChIKey is UAJVPIYCCWFXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4(2)7(12)5-3-6(11)10-8(13)9-5/h3-4H,1-2H3,(H2,9,10,11,13).
What are the key properties of 6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione?
6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 58482877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).