7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one

C15H11FN2OS — CID 135032907

IUPAC7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(F)cn2c(=O)c1Sc1ccccc1
InChIInChI=1S/C15H11FN2OS/c1-10-14(20-12-5-3-2-4-6-12)15(19)18-9-11(16)7-8-13(18)17-10/h2-9H,1H3
InChIKeyAJIVZQWJNQOSFC-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.29
Rot. Bonds2

About 7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one

7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 135032907) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one
PubChem CID135032907
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(F)cn2c(=O)c1Sc1ccccc1
InChIInChI=1S/C15H11FN2OS/c1-10-14(20-12-5-3-2-4-6-12)15(19)18-9-11(16)7-8-13(18)17-10/h2-9H,1H3
InChIKeyAJIVZQWJNQOSFC-UHFFFAOYSA-N
XLogP3.29
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one (CID 135032907) is 7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccc(F)cn2c(=O)c1Sc1ccccc1.
What is the InChIKey of 7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AJIVZQWJNQOSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c1-10-14(20-12-5-3-2-4-6-12)15(19)18-9-11(16)7-8-13(18)17-10/h2-9H,1H3.
What are the key properties of 7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one?
7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 286.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135032907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).