6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one

C11H15ClN2O2 — CID 114584621

IUPAC6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one
SMILESCC(O)CCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C11H15ClN2O2/c1-7(15)4-5-14-10(16)6-9(12)13-11(14)8-2-3-8/h6-8,15H,2-5H2,1H3
InChIKeyVBWJQVJUHRWZCW-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.54
Rot. Bonds4

About 6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one

6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one (PubChem CID 114584621) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one
PubChem CID114584621
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one
SMILESCC(O)CCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C11H15ClN2O2/c1-7(15)4-5-14-10(16)6-9(12)13-11(14)8-2-3-8/h6-8,15H,2-5H2,1H3
InChIKeyVBWJQVJUHRWZCW-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)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

Related Compounds

6-Chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036367
6-Chloro-2-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411731
6-Chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706086
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-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one
CID 114581723
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-3-methylbutyl)-2-methylpyrimidin-4-one
CID 114581801
6-Chloro-3-(3-hydroxy-2-methylpropyl)-2-methylpyrimidin-4-one
CID 114581806
6-Chloro-3-(3-hydroxybutyl)pyrimidin-4-one
CID 114582184
6-Chloro-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
CID 114582235

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one (CID 114584621) is 6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one is CC(O)CCn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one?
The InChIKey is VBWJQVJUHRWZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(15)4-5-14-10(16)6-9(12)13-11(14)8-2-3-8/h6-8,15H,2-5H2,1H3.
What are the key properties of 6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one has a molecular weight of 242.71 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-3-(3-hydroxybutyl)pyrimidin-4-one is sourced from PubChem (CID 114584621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).