6-chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one

C11H15ClN2O2 — CID 114584656

IUPAC6-chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
SMILESCC(CO)Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C11H15ClN2O2/c1-7(6-15)5-14-10(16)4-9(12)13-11(14)8-2-3-8/h4,7-8,15H,2-3,5-6H2,1H3
InChIKeyOGENGNJVDZANDX-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.40
Rot. Bonds4

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

6-chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one (PubChem CID 114584656) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
PubChem CID114584656
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
SMILESCC(CO)Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C11H15ClN2O2/c1-7(6-15)5-14-10(16)4-9(12)13-11(14)8-2-3-8/h4,7-8,15H,2-3,5-6H2,1H3
InChIKeyOGENGNJVDZANDX-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one
CID 106930432
6-Chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706086
6-Chloro-3-(6-hydroxyhexyl)-2-propan-2-ylpyrimidin-4-one
CID 113991798
6-Chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581625
6-Chloro-3-(cyclopropylmethyl)-2-methylpyrimidin-4-one
CID 114581728
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-hydroxy-2-methylpropyl)pyrimidin-4-one
CID 114582235

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one (CID 114584656) is 6-chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one is CC(CO)Cn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
The InChIKey is OGENGNJVDZANDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(6-15)5-14-10(16)4-9(12)13-11(14)8-2-3-8/h4,7-8,15H,2-3,5-6H2,1H3.
What are the key properties of 6-chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one has a molecular weight of 242.71 g/mol, XLogP of 1.40, 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-hydroxy-2-methylpropyl)pyrimidin-4-one is sourced from PubChem (CID 114584656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).