5,6-dichloro-3-cyclopentylpyrimidin-4-one

C9H10Cl2N2O — CID 114582987

IUPAC5,6-dichloro-3-cyclopentylpyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1C1CCCC1
InChIInChI=1S/C9H10Cl2N2O/c10-7-8(11)12-5-13(9(7)14)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyFRAOCEOLIDCZIS-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.67
Rot. Bonds1

About 5,6-dichloro-3-cyclopentylpyrimidin-4-one

5,6-dichloro-3-cyclopentylpyrimidin-4-one (PubChem CID 114582987) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 5,6-dichloro-3-cyclopentylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-cyclopentylpyrimidin-4-one
PubChem CID114582987
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name5,6-dichloro-3-cyclopentylpyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1C1CCCC1
InChIInChI=1S/C9H10Cl2N2O/c10-7-8(11)12-5-13(9(7)14)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyFRAOCEOLIDCZIS-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dichloro-3-pentan-2-ylpyrimidin-4-one
CID 107885728
5,6-Dichloro-3-decylpyrimidin-4-one
CID 113604356
N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 113604357
6-Chloro-3-cyclopentylpyrimidin-4-one
CID 114582119
5-Amino-6-chloro-3-cyclopentylpyrimidin-4-one
CID 114582559
5,6-Dichloro-3-pentylpyrimidin-4-one
CID 114582900
5,6-Dichloro-3-octylpyrimidin-4-one
CID 114582901
5,6-Dichloro-3-cyclohexylpyrimidin-4-one
CID 114582906
5-(4,5-Dichloro-6-oxopyrimidin-1-yl)pentanenitrile
CID 114582917
5,6-Dichloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 114582935
5,6-Dichloro-3-(2-methylpentyl)pyrimidin-4-one
CID 114582971
5,6-Dichloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582977

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-cyclopentylpyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-cyclopentylpyrimidin-4-one (CID 114582987) is 5,6-dichloro-3-cyclopentylpyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-cyclopentylpyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-cyclopentylpyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1C1CCCC1.
What is the InChIKey of 5,6-dichloro-3-cyclopentylpyrimidin-4-one?
The InChIKey is FRAOCEOLIDCZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c10-7-8(11)12-5-13(9(7)14)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 5,6-dichloro-3-cyclopentylpyrimidin-4-one?
5,6-dichloro-3-cyclopentylpyrimidin-4-one has a molecular weight of 233.10 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-cyclopentylpyrimidin-4-one is sourced from PubChem (CID 114582987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).