Basic information
- CAS
37489-29-5- Standard SMILES
Cc1nc(N)nc2c1N=C(N)CS2- InChIKey
ZPJVPKSAISMOKY-UHFFFAOYSA-N- Molecular formula
- C7H9N5S
- Average molar mass
- 195.25 g/mol
- Monoisotopic mass
- 195.05786648
Names & identifiers
- Preferred name
- 7H-Pyrimido(4,5-b)(1,4)thiazine, 2,6-diamino-4-methyl-
- IUPAC
- 4-methyl-7H-pyrimido[4,5-b][1,4]thiazine-2,6-diamine
Names & synonyms
BRN 052173837489-29-52,6-Diamino-4-methyl-7H-pyrimido(4,5-b)(1,4)thiazine7H-Pyrimido(4,5-b)(1,4)thiazine, 2,6-diamino-4-methyl-DTXSID80190933RefChem:311481DTXCID201134244-methyl-7h-pyrimido[4,5-b][1,4]thiazine-2,6-diamine
Database identifiers
- CAS
37489-29-5- PubChem CID
- 216613
- DTXSID
DTXSID80190933- Nikkaji
- J87.050A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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