5-bromo-3-butyl-6-chloropyrimidin-4-one

C8H10BrClN2O — CID 114583537

IUPAC5-bromo-3-butyl-6-chloropyrimidin-4-one
SMILESCCCCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C8H10BrClN2O/c1-2-3-4-12-5-11-7(10)6(9)8(12)13/h5H,2-4H2,1H3
InChIKeyJXRVFGJIIRVEAW-UHFFFAOYSA-N
MW265.54 g/mol
LogP2.46
Rot. Bonds3

About 5-bromo-3-butyl-6-chloropyrimidin-4-one

5-bromo-3-butyl-6-chloropyrimidin-4-one (PubChem CID 114583537) has the molecular formula C8H10BrClN2O and a molecular weight of 265.54 g/mol. Its IUPAC name is 5-bromo-3-butyl-6-chloropyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-butyl-6-chloropyrimidin-4-one
PubChem CID114583537
Molecular FormulaC8H10BrClN2O
Molecular Weight265.54 g/mol
Exact Mass263.97
IUPAC Name5-bromo-3-butyl-6-chloropyrimidin-4-one
SMILESCCCCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C8H10BrClN2O/c1-2-3-4-12-5-11-7(10)6(9)8(12)13/h5H,2-4H2,1H3
InChIKeyJXRVFGJIIRVEAW-UHFFFAOYSA-N
XLogP2.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.54
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-6-chloro-3-methyl-3,4-dihydropyrimidin-4-one
CID 15058925
5-Bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114583338
5-Bromo-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114583441
5-Bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583599
5-Bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114583676
5-Bromo-3-(3-fluorobutyl)pyrimidin-4-one
CID 130834379
5-Bromo-6-chloro-3-ethylpyrimidin-4-one
CID 15924965
5-Bromo-3-propylpyrimidin-4-one
CID 66307883
5-Bromo-3-(4-chlorobutyl)pyrimidin-4-one
CID 66308273
5-Bromo-6-methyl-3-propyl-3,4-dihydropyrimidin-4-one
CID 66308133
5-Bromo-3-(3-chloro-2-methylpropyl)pyrimidin-4-one
CID 66308272
5-Bromo-3-(2-chloroprop-2-enyl)-6-methylpyrimidin-4-one
CID 66308544

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-butyl-6-chloropyrimidin-4-one?
The IUPAC name of 5-bromo-3-butyl-6-chloropyrimidin-4-one (CID 114583537) is 5-bromo-3-butyl-6-chloropyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-butyl-6-chloropyrimidin-4-one?
The canonical SMILES for 5-bromo-3-butyl-6-chloropyrimidin-4-one is CCCCn1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 5-bromo-3-butyl-6-chloropyrimidin-4-one?
The InChIKey is JXRVFGJIIRVEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2O/c1-2-3-4-12-5-11-7(10)6(9)8(12)13/h5H,2-4H2,1H3.
What are the key properties of 5-bromo-3-butyl-6-chloropyrimidin-4-one?
5-bromo-3-butyl-6-chloropyrimidin-4-one has a molecular weight of 265.54 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-butyl-6-chloropyrimidin-4-one is sourced from PubChem (CID 114583537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).