1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one

C10H8N2O3 — CID 70501816

IUPAC1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)c1ccoc1
InChIInChI=1S/C10H8N2O3/c13-9(8-2-5-15-7-8)6-12-4-1-3-11-10(12)14/h1-5,7H,6H2
InChIKeyWBOBZEMOJZYIFJ-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.72
Rot. Bonds3

About 1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one

1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one (PubChem CID 70501816) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one
PubChem CID70501816
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)c1ccoc1
InChIInChI=1S/C10H8N2O3/c13-9(8-2-5-15-7-8)6-12-4-1-3-11-10(12)14/h1-5,7H,6H2
InChIKeyWBOBZEMOJZYIFJ-UHFFFAOYSA-N
XLogP0.72
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(furan-3-yl)-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-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one (CID 70501816) is 1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)c1ccoc1.
What is the InChIKey of 1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one?
The InChIKey is WBOBZEMOJZYIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-9(8-2-5-15-7-8)6-12-4-1-3-11-10(12)14/h1-5,7H,6H2.
What are the key properties of 1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one?
1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one has a molecular weight of 204.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 70501816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).