Pyrido(3,2-d)pyrimidine-2,4-diamine, 6-((3,4-dichlorophenyl)sulfinyl)-
Basic information
- CAS
95096-01-8- Standard SMILES
Nc1nc(N)c2nc(S(=O)c3ccc(Cl)c(Cl)c3)ccc2n1- InChIKey
QXHGUUKUXUMPQM-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2N5OS
- Average molar mass
- 354.2 g/mol
- Monoisotopic mass
- 352.9904865
Names & identifiers
- Preferred name
- Pyrido(3,2-d)pyrimidine-2,4-diamine, 6-((3,4-dichlorophenyl)sulfinyl)-
- IUPAC
- 6-(3,4-dichlorophenyl)sulfinylpyrido[3,2-d]pyrimidine-2,4-diamine
Names & synonyms
95096-01-8BRN 4543406Pyrido(3,2-d)pyrimidine-2,4-diamine, 6-((3,4-dichlorophenyl)sulfinyl)-2,4-Diamino-6-[[3,4-dichlorophenyl]sulfinyl]pyrido[3,2-d]pyrimidine2,4-Diamino-6-((3,4-dichlorophenyl)sulfinyl)pyrido(3,2-d)pyrimidineRefChem:377397QXHGUUKUXUMPQM-UHFFFAOYSA-N6-((3,4-Dichlorophenyl)sulfinyl)pyrido(3,2-d)pyrimidine-2,4-diamine6-((3,4-DICHLOROPHENYL)SULFINYL)PYRIDO[3,2-D]PYRIMIDINE-2,4-DIAMINEDTXSID209151226-(3,4-Dichlorobenzene-1-sulfinyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-diimine
Database identifiers
- CAS
95096-01-8- PubChem CID
- 600480
- DTXSID
DTXSID20915122
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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