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

C7H9ClN2O2 — CID 114581600

IUPAC6-chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCO
InChIInChI=1S/C7H9ClN2O2/c1-5-9-6(8)4-7(12)10(5)2-3-11/h4,11H,2-3H2,1H3
InChIKeyCLPYEQLRGNQHGB-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.20
Rot. Bonds2

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

6-chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one (PubChem CID 114581600) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 6-chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one
PubChem CID114581600
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name6-chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCO
InChIInChI=1S/C7H9ClN2O2/c1-5-9-6(8)4-7(12)10(5)2-3-11/h4,11H,2-3H2,1H3
InChIKeyCLPYEQLRGNQHGB-UHFFFAOYSA-N
XLogP0.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-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

Related Compounds

6-Chloro-3-ethyl-2-methylpyrimidin-4-one
CID 114581811
6-Chloro-3-(2-methoxyethyl)-4(3h)-pyrimidinone
CID 114582282
3-(2-Hydroxyethyl)-2,6-dimethylpyrimidin-4-one
CID 63769896
6-Chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one
CID 103182124
6-Chloro-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455817
3-(2-Butoxyethyl)-6-chloro-2-methylpyrimidin-4-one
CID 114581620
6-Chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581625
6-Chloro-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
CID 114581662
6-Chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581683
6-Chloro-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one
CID 114581694
6-Chloro-3-(1-methoxypropan-2-yl)-2-methylpyrimidin-4-one
CID 114581696
6-Chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one
CID 114581704

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one (CID 114581600) is 6-chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCO.
What is the InChIKey of 6-chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one?
The InChIKey is CLPYEQLRGNQHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-5-9-6(8)4-7(12)10(5)2-3-11/h4,11H,2-3H2,1H3.
What are the key properties of 6-chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one?
6-chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one has a molecular weight of 188.61 g/mol, XLogP of 0.20, 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)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).