3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one

C11H12BrN3O — CID 68856979

IUPAC3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCNc1nc2ccccn2c(=O)c1Br
InChIInChI=1S/C11H12BrN3O/c1-2-6-13-10-9(12)11(16)15-7-4-3-5-8(15)14-10/h3-5,7,13H,2,6H2,1H3
InChIKeyFAVGYUZONYVGAK-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.28
Rot. Bonds3

About 3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one

3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 68856979) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one
PubChem CID68856979
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCNc1nc2ccccn2c(=O)c1Br
InChIInChI=1S/C11H12BrN3O/c1-2-6-13-10-9(12)11(16)15-7-4-3-5-8(15)14-10/h3-5,7,13H,2,6H2,1H3
InChIKeyFAVGYUZONYVGAK-UHFFFAOYSA-N
XLogP2.28
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one (CID 68856979) is 3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one is CCCNc1nc2ccccn2c(=O)c1Br.
What is the InChIKey of 3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FAVGYUZONYVGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-2-6-13-10-9(12)11(16)15-7-4-3-5-8(15)14-10/h3-5,7,13H,2,6H2,1H3.
What are the key properties of 3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one?
3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 282.14 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(propylamino)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 68856979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).