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

C14H10N2OS — CID 135033105

IUPAC3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Sc2ccccc2)cnc2ccccn12
InChIInChI=1S/C14H10N2OS/c17-14-12(18-11-6-2-1-3-7-11)10-15-13-8-4-5-9-16(13)14/h1-10H
InChIKeyNIJGANCQWLADMM-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.85
Rot. Bonds2

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

3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 135033105) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one
PubChem CID135033105
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Sc2ccccc2)cnc2ccccn12
InChIInChI=1S/C14H10N2OS/c17-14-12(18-11-6-2-1-3-7-11)10-15-13-8-4-5-9-16(13)14/h1-10H
InChIKeyNIJGANCQWLADMM-UHFFFAOYSA-N
XLogP2.85
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one (CID 135033105) is 3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one is O=c1c(Sc2ccccc2)cnc2ccccn12.
What is the InChIKey of 3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NIJGANCQWLADMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-14-12(18-11-6-2-1-3-7-11)10-15-13-8-4-5-9-16(13)14/h1-10H.
What are the key properties of 3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one?
3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 254.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135033105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).