3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one

C10H9BrN2O — CID 13482087

IUPAC3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(C)cccn2c(=O)c1Br
InChIInChI=1S/C10H9BrN2O/c1-6-4-3-5-13-9(6)12-7(2)8(11)10(13)14/h3-5H,1-2H3
InChIKeyCZVSTVHFXOFMHJ-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.07
Rot. Bonds

About 3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one

3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 13482087) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID13482087
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(C)cccn2c(=O)c1Br
InChIInChI=1S/C10H9BrN2O/c1-6-4-3-5-13-9(6)12-7(2)8(11)10(13)14/h3-5H,1-2H3
InChIKeyCZVSTVHFXOFMHJ-UHFFFAOYSA-N
XLogP2.07
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 13482087) is 3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2c(C)cccn2c(=O)c1Br.
What is the InChIKey of 3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CZVSTVHFXOFMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6-4-3-5-13-9(6)12-7(2)8(11)10(13)14/h3-5H,1-2H3.
What are the key properties of 3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one?
3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 253.10 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 13482087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).