Basic information
- CAS
7595-53-1- Standard SMILES
CSc1nc(N)c(NC=O)c(SC)n1- InChIKey
YLYJQBRXRIAMIN-UHFFFAOYSA-N- Molecular formula
- C7H10N4OS2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.0296033
Names & identifiers
- Preferred name
- N-[4-amino-2,6-bis(methylsulfanyl)pyrimidin-5-yl]formamide
- IUPAC
- N-[4-amino-2,6-bis(methylsulfanyl)pyrimidin-5-yl]formamide
Names & synonyms
7595-53-1N-[4-amino-2,6-bis(methylsulfanyl)pyrimidin-5-yl]formamideNSC406456DTXSID70324341NSC-406456IMINOJERVEN-11-ONE,23-DIHYDROXY-DIACETATEFormamide, n-[4-amino-2,6-bis-(methylthio)-5-pyrimidinyl]-
Database identifiers
- CAS
7595-53-1- PubChem CID
- 347665
- DTXSID
DTXSID70324341
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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