9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one

C11H12N2OS — CID 47263067

IUPAC9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCSCc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C11H12N2OS/c1-8-4-3-5-13-10(14)6-9(7-15-2)12-11(8)13/h3-6H,7H2,1-2H3
InChIKeyJRDKISFDGRTMFP-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.87
Rot. Bonds2

About 9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47263067) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID47263067
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCSCc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C11H12N2OS/c1-8-4-3-5-13-10(14)6-9(7-15-2)12-11(8)13/h3-6H,7H2,1-2H3
InChIKeyJRDKISFDGRTMFP-UHFFFAOYSA-N
XLogP1.87
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 47263067) is 9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one is CSCc1cc(=O)n2cccc(C)c2n1.
What is the InChIKey of 9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JRDKISFDGRTMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-4-3-5-13-10(14)6-9(7-15-2)12-11(8)13/h3-6H,7H2,1-2H3.
What are the key properties of 9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 220.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47263067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).