7-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one

C16H13FN2OS — CID 135032912

IUPAC7-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(Sc2c(C)nc3ccc(F)cn3c2=O)cc1
InChIInChI=1S/C16H13FN2OS/c1-10-3-6-13(7-4-10)21-15-11(2)18-14-8-5-12(17)9-19(14)16(15)20/h3-9H,1-2H3
InChIKeyIFTMGDLNYXGUFH-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.60
Rot. Bonds2

About 7-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one

7-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 135032912) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 7-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one
PubChem CID135032912
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name7-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(Sc2c(C)nc3ccc(F)cn3c2=O)cc1
InChIInChI=1S/C16H13FN2OS/c1-10-3-6-13(7-4-10)21-15-11(2)18-14-8-5-12(17)9-19(14)16(15)20/h3-9H,1-2H3
InChIKeyIFTMGDLNYXGUFH-UHFFFAOYSA-N
XLogP3.60
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.60
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-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one (CID 135032912) is 7-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc(Sc2c(C)nc3ccc(F)cn3c2=O)cc1.
What is the InChIKey of 7-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IFTMGDLNYXGUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-10-3-6-13(7-4-10)21-15-11(2)18-14-8-5-12(17)9-19(14)16(15)20/h3-9H,1-2H3.
What are the key properties of 7-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one?
7-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 300.36 g/mol, XLogP of 3.60, 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-(4-methylphenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135032912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).