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

C11H15ClN2O2 — CID 114584640

IUPAC6-chloro-2-cyclopropyl-3-(4-hydroxybutyl)pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCCCO
InChIInChI=1S/C11H15ClN2O2/c12-9-7-10(16)14(5-1-2-6-15)11(13-9)8-3-4-8/h7-8,15H,1-6H2
InChIKeyBRIMIPDUKSUFOS-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.55
Rot. Bonds5

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

6-chloro-2-cyclopropyl-3-(4-hydroxybutyl)pyrimidin-4-one (PubChem CID 114584640) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-(4-hydroxybutyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-(4-hydroxybutyl)pyrimidin-4-one
PubChem CID114584640
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-chloro-2-cyclopropyl-3-(4-hydroxybutyl)pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCCCO
InChIInChI=1S/C11H15ClN2O2/c12-9-7-10(16)14(5-1-2-6-15)11(13-9)8-3-4-8/h7-8,15H,1-6H2
InChIKeyBRIMIPDUKSUFOS-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-3-(cyclopropylmethoxymethyl)-2-ethylpyrimidin-4-one
CID 106930432
6-Chloro-2-cyclopropyl-3-(cyclopropylmethoxymethyl)pyrimidin-4-one
CID 106930433
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-(4-hydroxybutyl)-2-methylpyrimidin-4-one
CID 114581785
6-Chloro-3-(3-hydroxy-2-methylpropyl)-2-methylpyrimidin-4-one
CID 114581806
6-Chloro-3-(4-hydroxybutyl)pyrimidin-4-one
CID 114582214
6-Chloro-2-ethyl-3-(3-hydroxypropyl)pyrimidin-4-one
CID 114584198
6-Chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one
CID 114584274
6-Chloro-2-ethyl-3-(3-hydroxybutyl)pyrimidin-4-one
CID 114584298
6-Chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one
CID 114584320

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-(4-hydroxybutyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-(4-hydroxybutyl)pyrimidin-4-one (CID 114584640) is 6-chloro-2-cyclopropyl-3-(4-hydroxybutyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-(4-hydroxybutyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-(4-hydroxybutyl)pyrimidin-4-one is O=c1cc(Cl)nc(C2CC2)n1CCCCO.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-(4-hydroxybutyl)pyrimidin-4-one?
The InChIKey is BRIMIPDUKSUFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-9-7-10(16)14(5-1-2-6-15)11(13-9)8-3-4-8/h7-8,15H,1-6H2.
What are the key properties of 6-chloro-2-cyclopropyl-3-(4-hydroxybutyl)pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-(4-hydroxybutyl)pyrimidin-4-one has a molecular weight of 242.71 g/mol, XLogP of 1.55, 5 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-(4-hydroxybutyl)pyrimidin-4-one is sourced from PubChem (CID 114584640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).