1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one

C9H10N2O2 — CID 63915012

IUPAC1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)C1CC1
InChIInChI=1S/C9H10N2O2/c12-8(7-2-3-7)6-11-5-1-4-10-9(11)13/h1,4-5,7H,2-3,6H2
InChIKeyIUGFBFFNXBWWQM-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.22
Rot. Bonds3

About 1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one

1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one (PubChem CID 63915012) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one
PubChem CID63915012
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)C1CC1
InChIInChI=1S/C9H10N2O2/c12-8(7-2-3-7)6-11-5-1-4-10-9(11)13/h1,4-5,7H,2-3,6H2
InChIKeyIUGFBFFNXBWWQM-UHFFFAOYSA-N
XLogP0.22
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one 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 1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one?
The IUPAC name of 1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one (CID 63915012) is 1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one.
What is the SMILES notation for 1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one?
The canonical SMILES for 1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one is O=C(Cn1cccnc1=O)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one?
The InChIKey is IUGFBFFNXBWWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-8(7-2-3-7)6-11-5-1-4-10-9(11)13/h1,4-5,7H,2-3,6H2.
What are the key properties of 1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one?
1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one has a molecular weight of 178.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-oxoethyl)pyrimidin-2-one is sourced from PubChem (CID 63915012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).