2-(Dimethoxyphosphinothioylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
Basic information
- CAS
87779-14-4- Standard SMILES
COP(=S)(OC)SCc1cc(=O)n2c(C)cccc2n1- InChIKey
AHYMBMWBPOTAAS-UHFFFAOYSA-N- Molecular formula
- C12H15N2O3PS2
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.02617169
Names & identifiers
- Preferred name
- 2-(Dimethoxyphosphinothioylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
- IUPAC
- 2-(dimethoxyphosphinothioylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
Names & synonyms
NSC33701887779-14-42-(dimethoxyphosphinothioylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-oneDTXSID10318825NSC-3370182-(dimethoxyphosphinothioylsulfanylmethyl)-6-methyl-pyrido[1,2-a]pyrimidin-4-oneO,O-Dimethyl S-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl] dithiophosphateO,O-Dimethyl S-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl] phosphorodithioate
Database identifiers
- CAS
87779-14-4- PubChem CID
- 333679
- DTXSID
DTXSID10318825
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 588
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Compound notes
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