2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one

C11H10F2N2O — CID 147335907

IUPAC2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2c(F)cc(C)cn2c(=O)c1F
InChIInChI=1S/C11H10F2N2O/c1-3-8-9(13)11(16)15-5-6(2)4-7(12)10(15)14-8/h4-5H,3H2,1-2H3
InChIKeyDCOBMNPVCILQEJ-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.84
Rot. Bonds1

About 2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one

2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 147335907) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID147335907
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2c(F)cc(C)cn2c(=O)c1F
InChIInChI=1S/C11H10F2N2O/c1-3-8-9(13)11(16)15-5-6(2)4-7(12)10(15)14-8/h4-5H,3H2,1-2H3
InChIKeyDCOBMNPVCILQEJ-UHFFFAOYSA-N
XLogP1.84
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 147335907) is 2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one is CCc1nc2c(F)cc(C)cn2c(=O)c1F.
What is the InChIKey of 2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DCOBMNPVCILQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-3-8-9(13)11(16)15-5-6(2)4-7(12)10(15)14-8/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 224.21 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 147335907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).