Basic information
- CAS
53661-23-7- Standard SMILES
CCc1nc2nc(N)nc(N)c2c2c1CCCC2- InChIKey
BWFVBVDXZSYVKC-UHFFFAOYSA-N- Molecular formula
- C13H17N5
- Average molar mass
- 243.31 g/mol
- Monoisotopic mass
- 243.14839556
Names & identifiers
- Preferred name
- Pyrimido(4,5-c)isoquinoline-1,3-diamine, 6-ethyl-7,8,9,10-tetrahydro-
- IUPAC
- 6-ethyl-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine
Names & synonyms
PY68653661-23-7Pyrimido(4,5-c)isoquinoline-1,3-diamine, 6-ethyl-7,8,9,10-tetrahydro-6-ethyl-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diaminePyrimido[4,5-c]isoquinoline-1,3-diamine, 6-ethyl-7,8,9,10-tetrahydro-DTXSID60201899
Database identifiers
- CAS
53661-23-7- PubChem CID
- 456366
- DTXSID
DTXSID60201899
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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