7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one

C10H9FN2O — CID 144959463

IUPAC7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2cc(F)cc(C)c2n1
InChIInChI=1S/C10H9FN2O/c1-6-3-8(11)5-13-9(14)4-7(2)12-10(6)13/h3-5H,1-2H3
InChIKeyGQMWDHABMLYRRI-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.45
Rot. Bonds

About 7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one

7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 144959463) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID144959463
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2cc(F)cc(C)c2n1
InChIInChI=1S/C10H9FN2O/c1-6-3-8(11)5-13-9(14)4-7(2)12-10(6)13/h3-5H,1-2H3
InChIKeyGQMWDHABMLYRRI-UHFFFAOYSA-N
XLogP1.45
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 144959463) is 7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(=O)n2cc(F)cc(C)c2n1.
What is the InChIKey of 7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GQMWDHABMLYRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-6-3-8(11)5-13-9(14)4-7(2)12-10(6)13/h3-5H,1-2H3.
What are the key properties of 7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one?
7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 192.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 144959463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).