Basic information
- CAS
887585-15-1- Standard SMILES
CSc1nc(N)[nH]c(=O)c1C#N- InChIKey
DKCSAMDSKUVODZ-UHFFFAOYSA-N- Molecular formula
- C6H6N4OS
- Average molar mass
- 182.21 g/mol
- Monoisotopic mass
- 182.026232
Names & identifiers
- Preferred name
- 2-Amino-4-hydroxy-6-(methylsulfanyl)-5-pyrimidinecarbonitrile
- IUPAC
- 2-amino-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
- English name
- 2-AMINO-4-HYDROXY-6-(METHYLSULFANYL)-5-PYRIMIDINECARBONITRILE
- Molecular formula
- C6H6N4OS
- Molecular weight
- 182.2
Names & synonyms
887585-15-12-amino-4-hydroxy-6-(methylsulfanyl)-5-pyrimidinecarbonitrile2-amino-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile2-Amino-1,4-dihydro-6-(methylthio)-4-oxo-5-pyrimidinecarbonitrile2-Amino-4-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carbonitrileDTXSID101167799SBB089911AKOS006277028AP-782/418855482-amino-4-hydroxy-6-methylthiopyrimidine-5-carbonitrile2-amino-4-hydroxy-6-(methylsulfanyl)pyrimidine-5-carbonitrile2-Amino-6-(methylsulfanyl)-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
Database identifiers
- CAS
887585-15-1- PubChem CID
- 820650
- DTXSID
DTXSID101167799
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 335
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…