5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one

C9H10BrClN2O — CID 114583414

IUPAC5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1C1CCCC1
InChIInChI=1S/C9H10BrClN2O/c10-7-8(11)12-5-13(9(7)14)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyNCUQKBBCBGIWGC-UHFFFAOYSA-N
MW277.55 g/mol
LogP2.77
Rot. Bonds1

About 5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one

5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one (PubChem CID 114583414) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one
PubChem CID114583414
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1C1CCCC1
InChIInChI=1S/C9H10BrClN2O/c10-7-8(11)12-5-13(9(7)14)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyNCUQKBBCBGIWGC-UHFFFAOYSA-N
XLogP2.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885730
5-Bromo-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 114015212
6-Chloro-3-cyclopentylpyrimidin-4-one
CID 114582119
5,6-Dichloro-3-cyclopentylpyrimidin-4-one
CID 114582987
5-Bromo-6-chloro-3-pentylpyrimidin-4-one
CID 114583326
5-Bromo-6-chloro-3-octylpyrimidin-4-one
CID 114583327
5-Bromo-6-chloro-3-cyclohexylpyrimidin-4-one
CID 114583332
5-(5-Bromo-4-chloro-6-oxopyrimidin-1-yl)pentanenitrile
CID 114583343
5-Bromo-6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 114583362
5-Bromo-6-chloro-3-(2-methylpentyl)pyrimidin-4-one
CID 114583399
5-Bromo-6-chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114583404
5-Bromo-6-chloro-3-(4-methylpentyl)pyrimidin-4-one
CID 114583431

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one (CID 114583414) is 5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one is O=c1c(Br)c(Cl)ncn1C1CCCC1.
What is the InChIKey of 5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one?
The InChIKey is NCUQKBBCBGIWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/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-bromo-6-chloro-3-cyclopentylpyrimidin-4-one?
5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one has a molecular weight of 277.55 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-cyclopentylpyrimidin-4-one is sourced from PubChem (CID 114583414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).