6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one

C7H9ClN2O3 — CID 114585115

IUPAC6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(CCO)c1=O
InChIInChI=1S/C7H9ClN2O3/c1-13-5-6(8)9-4-10(2-3-11)7(5)12/h4,11H,2-3H2,1H3
InChIKeyLSUWKPWHQGGRBA-UHFFFAOYSA-N
MW204.61 g/mol
LogP-0.10
Rot. Bonds3

About 6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one

6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one (PubChem CID 114585115) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is 6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one
PubChem CID114585115
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(CCO)c1=O
InChIInChI=1S/C7H9ClN2O3/c1-13-5-6(8)9-4-10(2-3-11)7(5)12/h4,11H,2-3H2,1H3
InChIKeyLSUWKPWHQGGRBA-UHFFFAOYSA-N
XLogP-0.10
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-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-hydroxyethyl)-5-methoxypyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one (CID 114585115) is 6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one is COc1c(Cl)ncn(CCO)c1=O.
What is the InChIKey of 6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one?
The InChIKey is LSUWKPWHQGGRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3/c1-13-5-6(8)9-4-10(2-3-11)7(5)12/h4,11H,2-3H2,1H3.
What are the key properties of 6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one?
6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one has a molecular weight of 204.61 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one is sourced from PubChem (CID 114585115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).