6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one

C8H11ClN2O3 — CID 114581723

IUPAC6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC(O)CO
InChIInChI=1S/C8H11ClN2O3/c1-5-10-7(9)2-8(14)11(5)3-6(13)4-12/h2,6,12-13H,3-4H2,1H3
InChIKeyRDDSSDCNQYAWPO-UHFFFAOYSA-N
MW218.64 g/mol
LogP-0.44
Rot. Bonds3

About 6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one

6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one (PubChem CID 114581723) has the molecular formula C8H11ClN2O3 and a molecular weight of 218.64 g/mol. Its IUPAC name is 6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one
PubChem CID114581723
Molecular FormulaC8H11ClN2O3
Molecular Weight218.64 g/mol
Exact Mass218.05
IUPAC Name6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC(O)CO
InChIInChI=1S/C8H11ClN2O3/c1-5-10-7(9)2-8(14)11(5)3-6(13)4-12/h2,6,12-13H,3-4H2,1H3
InChIKeyRDDSSDCNQYAWPO-UHFFFAOYSA-N
XLogP-0.44
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-(2,3-dihydroxypropyl)-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

3-(2,3-Dihydroxypropyl)-2,6-dimethylpyrimidin-4-one
CID 82849285
3-(2,3-Dihydroxypropyl)-5-iodo-2-methylpyrimidin-4-one
CID 82850587
3-(2,3-Dihydroxypropyl)-2-methyl-6-(methylthio)-4(3H)-pyrimidinone
CID 86000996
6-Chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one
CID 114581600
6-Chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581625
6-Chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581683
6-Chloro-3-[2-(2-hydroxyethoxy)ethyl]-2-methylpyrimidin-4-one
CID 114581713
6-Chloro-3-(3-hydroxybutyl)-2-methylpyrimidin-4-one
CID 114581755
6-Chloro-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one
CID 114581785
6-Chloro-3-(3-hydroxy-2-methylpropyl)-2-methylpyrimidin-4-one
CID 114581806
6-Chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one
CID 114581961
6-Chloro-3-(2-hydroxypropyl)pyrimidin-4-one
CID 114582111

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one (CID 114581723) is 6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CC(O)CO.
What is the InChIKey of 6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one?
The InChIKey is RDDSSDCNQYAWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3/c1-5-10-7(9)2-8(14)11(5)3-6(13)4-12/h2,6,12-13H,3-4H2,1H3.
What are the key properties of 6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one?
6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one has a molecular weight of 218.64 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).