6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
Basic information
- CAS
4765-67-7- Standard SMILES
CSc1nc(N)nc(N)c1N- InChIKey
KBUOOBDOQLCMGJ-UHFFFAOYSA-N- Molecular formula
- C5H9N5S
- Average molar mass
- 171.23 g/mol
- Monoisotopic mass
- 171.05786648
Names & identifiers
- Preferred name
- 6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
- IUPAC
- 6-methylsulfanylpyrimidine-2,4,5-triamine
Names & synonyms
4765-67-76-(methylsulfanyl)pyrimidine-2,4,5-triamineDTXSID60296048RefChem:306884DTXCID10247186NSC107266NSC-107266
Database identifiers
- CAS
4765-67-7- PubChem CID
- 267696
- DTXSID
DTXSID60296048
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
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Compound notes
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