5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one

C10H13BrN2O2 — CID 66310244

IUPAC5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one
SMILESCC(=O)CCCn1cnc(C)c(Br)c1=O
InChIInChI=1S/C10H13BrN2O2/c1-7(14)4-3-5-13-6-12-8(2)9(11)10(13)15/h6H,3-5H2,1-2H3
InChIKeyKBOAATRRQPYPGX-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.68
Rot. Bonds4

About 5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one

5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one (PubChem CID 66310244) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one
PubChem CID66310244
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one
SMILESCC(=O)CCCn1cnc(C)c(Br)c1=O
InChIInChI=1S/C10H13BrN2O2/c1-7(14)4-3-5-13-6-12-8(2)9(11)10(13)15/h6H,3-5H2,1-2H3
InChIKeyKBOAATRRQPYPGX-UHFFFAOYSA-N
XLogP1.68
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one (CID 66310244) is 5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one is CC(=O)CCCn1cnc(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one?
The InChIKey is KBOAATRRQPYPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-7(14)4-3-5-13-6-12-8(2)9(11)10(13)15/h6H,3-5H2,1-2H3.
What are the key properties of 5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one?
5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one has a molecular weight of 273.13 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-(4-oxopentyl)pyrimidin-4-one is sourced from PubChem (CID 66310244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).