4-methoxy-5H-thiochromeno[4,3-d]pyrimidin-2-amine
Basic information
- CAS
72675-27-5- Standard SMILES
COc1nc(N)nc2c1CSc1ccccc1-2- InChIKey
UFOCCRRMTZTMNZ-UHFFFAOYSA-N- Molecular formula
- C12H11N3OS
- Average molar mass
- 245.3 g/mol
- Monoisotopic mass
- 245.06228316
Names & identifiers
- Preferred name
- 4-methoxy-5H-thiochromeno[4,3-d]pyrimidin-2-amine
- IUPAC
- 4-methoxy-5H-thiochromeno[4,3-d]pyrimidin-2-amine
Names & synonyms
72675-27-5NSC-356100JM5ANA8ESVDTXSID80993507NSC3561004-Methoxy-5H-[1]benzothiopyrano[4,3-d]pyrimidin-2-amine5H-[1]Benzothiopyrano[4,3-d]pyrimidin-2-amine, 4-methoxy-4-Methoxy-1,5-dihydro-2H-[1]benzothiopyrano[4,3-d]pyrimidin-2-imine
Database identifiers
- CAS
72675-27-5- PubChem CID
- 337549
- DTXSID
DTXSID80993507- UNII
- JM5ANA8ESV
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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