6-chloro-3-(2-methoxyethyl)pyrimidin-4-one

C7H9ClN2O2 — CID 114582282

IUPAC6-chloro-3-(2-methoxyethyl)pyrimidin-4-one
SMILESCOCCn1cnc(Cl)cc1=O
InChIInChI=1S/C7H9ClN2O2/c1-12-3-2-10-5-9-6(8)4-7(10)11/h4-5H,2-3H2,1H3
InChIKeyBCKWTSLHQODURG-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.54
Rot. Bonds3

About 6-chloro-3-(2-methoxyethyl)pyrimidin-4-one

6-chloro-3-(2-methoxyethyl)pyrimidin-4-one (PubChem CID 114582282) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 6-chloro-3-(2-methoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-methoxyethyl)pyrimidin-4-one
PubChem CID114582282
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name6-chloro-3-(2-methoxyethyl)pyrimidin-4-one
SMILESCOCCn1cnc(Cl)cc1=O
InChIInChI=1S/C7H9ClN2O2/c1-12-3-2-10-5-9-6(8)4-7(10)11/h4-5H,2-3H2,1H3
InChIKeyBCKWTSLHQODURG-UHFFFAOYSA-N
XLogP0.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(2-methoxyethyl)pyrimidin-4-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 6-chloro-3-(2-methoxyethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-methoxyethyl)pyrimidin-4-one (CID 114582282) is 6-chloro-3-(2-methoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-methoxyethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-methoxyethyl)pyrimidin-4-one is COCCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(2-methoxyethyl)pyrimidin-4-one?
The InChIKey is BCKWTSLHQODURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-12-3-2-10-5-9-6(8)4-7(10)11/h4-5H,2-3H2,1H3.
What are the key properties of 6-chloro-3-(2-methoxyethyl)pyrimidin-4-one?
6-chloro-3-(2-methoxyethyl)pyrimidin-4-one has a molecular weight of 188.61 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-methoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 114582282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).