3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane

C11H13BrN2O — CID 91292264

IUPAC3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane
SMILESCC.Cc1nc2ccccn2c(=O)c1Br
InChIInChI=1S/C9H7BrN2O.C2H6/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6;1-2/h2-5H,1H3;1-2H3
InChIKeyABKWRPCRRZFPQI-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.79
Rot. Bonds

About 3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane

3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane (PubChem CID 91292264) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane
PubChem CID91292264
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane
SMILESCC.Cc1nc2ccccn2c(=O)c1Br
InChIInChI=1S/C9H7BrN2O.C2H6/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6;1-2/h2-5H,1H3;1-2H3
InChIKeyABKWRPCRRZFPQI-UHFFFAOYSA-N
XLogP2.79
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane?
The IUPAC name of 3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane (CID 91292264) is 3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane.
What is the SMILES notation for 3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane?
The canonical SMILES for 3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane is CC.Cc1nc2ccccn2c(=O)c1Br.
What is the InChIKey of 3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane?
The InChIKey is ABKWRPCRRZFPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O.C2H6/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6;1-2/h2-5H,1H3;1-2H3.
What are the key properties of 3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane?
3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane has a molecular weight of 269.14 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylpyrido[1,2-a]pyrimidin-4-one;ethane is sourced from PubChem (CID 91292264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).