2,2'-(Butane-1,4-diyldisulfanediyl)bis(6-imino-1,6-dihydropyrimidin-4-amine)
Basic information
- CAS
92629-37-3- Standard SMILES
Nc1cc(N)nc(SCCCCSc2nc(N)cc(N)n2)n1- InChIKey
PIMXWBXDJGYCAJ-UHFFFAOYSA-N- Molecular formula
- C12H18N8S2
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.10958496
Names & identifiers
- Preferred name
- 2,2'-(Butane-1,4-diyldisulfanediyl)bis(6-imino-1,6-dihydropyrimidin-4-amine)
- IUPAC
- 2-[4-(4,6-diaminopyrimidin-2-yl)sulfanylbutylsulfanyl]pyrimidine-4,6-diamine
Names & synonyms
92629-37-3DTXSID209190442,2'-(Butane-1,4-diyldisulfanediyl)bis(6-imino-1,6-dihydropyrimidin-4-amine)RefChem:1058861DTXCID7013479812,2'-(1,4-Butanediylbis(thio))bis(4,6-pyrimidinediamine)1,4-Bis(4,6-diaminopyrimidiyl-2-thio)butane2,2'-[1,4-butanediylbis(thio)]di(4,6-pyrimidinediamine)4,6-Pyrimidinediamine, 2,2'-(1,4-butanediylbis(thio))bis-SCHEMBL13425427STL1680772-[4-(4,6-diaminopyrimidin-2-yl)sulfanylbutylsulfanyl]pyrimidine-4,6-diamine
Show more names
AKOS003678694SR-01000261132SR-01000261132-12,2'-(butane-1,4-diyldisulfanediyl)dipyrimidine-4,6-diamine2,2'-[Butane-1,4-diylbis(sulfanediyl)]bis(6-imino-1,6-dihydropyrimidin-4-amine)
Database identifiers
- CAS
92629-37-3- PubChem CID
- 2187682
- DTXSID
DTXSID20919044
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 274
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Compound notes
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