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

C6H7ClN2O2 — CID 114582028

IUPAC6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCO
InChIInChI=1S/C6H7ClN2O2/c7-5-3-6(11)9(1-2-10)4-8-5/h3-4,10H,1-2H2
InChIKeyRKPIIZDSIZOJSR-UHFFFAOYSA-N
MW174.59 g/mol
LogP-0.11
Rot. Bonds2

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

6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one (PubChem CID 114582028) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one
PubChem CID114582028
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCO
InChIInChI=1S/C6H7ClN2O2/c7-5-3-6(11)9(1-2-10)4-8-5/h3-4,10H,1-2H2
InChIKeyRKPIIZDSIZOJSR-UHFFFAOYSA-N
XLogP-0.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(2-hydroxyethyl)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-hydroxyethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one (CID 114582028) is 6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one is O=c1cc(Cl)ncn1CCO.
What is the InChIKey of 6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one?
The InChIKey is RKPIIZDSIZOJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c7-5-3-6(11)9(1-2-10)4-8-5/h3-4,10H,1-2H2.
What are the key properties of 6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one?
6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one has a molecular weight of 174.59 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one is sourced from PubChem (CID 114582028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).