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

C12H13FN2O2 — CID 154932570

IUPAC2-ethyl-9-fluoro-3-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2c(F)cc(C)cn2c(=O)c1OC
InChIInChI=1S/C12H13FN2O2/c1-4-9-10(17-3)12(16)15-6-7(2)5-8(13)11(15)14-9/h5-6H,4H2,1-3H3
InChIKeyIYNYFLBCUSUSPH-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.71
Rot. Bonds2

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

2-ethyl-9-fluoro-3-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 154932570) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-ethyl-9-fluoro-3-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-9-fluoro-3-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID154932570
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name2-ethyl-9-fluoro-3-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2c(F)cc(C)cn2c(=O)c1OC
InChIInChI=1S/C12H13FN2O2/c1-4-9-10(17-3)12(16)15-6-7(2)5-8(13)11(15)14-9/h5-6H,4H2,1-3H3
InChIKeyIYNYFLBCUSUSPH-UHFFFAOYSA-N
XLogP1.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-fluoro-3-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-ethyl-9-fluoro-3-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 154932570) is 2-ethyl-9-fluoro-3-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-9-fluoro-3-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-9-fluoro-3-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one is CCc1nc2c(F)cc(C)cn2c(=O)c1OC.
What is the InChIKey of 2-ethyl-9-fluoro-3-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IYNYFLBCUSUSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-4-9-10(17-3)12(16)15-6-7(2)5-8(13)11(15)14-9/h5-6H,4H2,1-3H3.
What are the key properties of 2-ethyl-9-fluoro-3-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-ethyl-9-fluoro-3-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 236.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-fluoro-3-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 154932570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).