6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one

C9H11ClN2O — CID 114582346

IUPAC6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCC1CC1
InChIInChI=1S/C9H11ClN2O/c10-8-5-9(13)12(6-11-8)4-3-7-1-2-7/h5-7H,1-4H2
InChIKeySAQFJJHQOLOHLX-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.70
Rot. Bonds3

About 6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one

6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one (PubChem CID 114582346) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one
PubChem CID114582346
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCC1CC1
InChIInChI=1S/C9H11ClN2O/c10-8-5-9(13)12(6-11-8)4-3-7-1-2-7/h5-7H,1-4H2
InChIKeySAQFJJHQOLOHLX-UHFFFAOYSA-N
XLogP1.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-3-((2,2-difluoro-1-methylcyclopropyl)methyl)-3,4-dihydropyrimidin-4-one
CID 165871494
6-Chloro-3-[(3,3-difluorocyclobutyl)methyl]pyrimidin-4-one
CID 130892405
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
6-Chloro-3-(2-methylpropyl)pyrimidin-4-one
CID 112547284
6-Chloro-2-methyl-3-(2-methylbutyl)pyrimidin-4-one
CID 114581593
6-Chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one
CID 114581676
6-Chloro-2-methyl-3-(4-methylpentyl)pyrimidin-4-one
CID 114581709
6-Chloro-3-(cyclopropylmethyl)-2-methylpyrimidin-4-one
CID 114581728
6-Chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one
CID 114581812
6-Chloro-3-(cyclobutylmethyl)-2-methylpyrimidin-4-one
CID 114581854
6-Chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one
CID 114581906
6-Chloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582021

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one (CID 114582346) is 6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one is O=c1cc(Cl)ncn1CCC1CC1.
What is the InChIKey of 6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one?
The InChIKey is SAQFJJHQOLOHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-8-5-9(13)12(6-11-8)4-3-7-1-2-7/h5-7H,1-4H2.
What are the key properties of 6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one?
6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one has a molecular weight of 198.65 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-cyclopropylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).