Basic information
- CAS
53661-24-8- Standard SMILES
Nc1nc(N)c2c3c(c(-c4ccccc4)nc2n1)CCCC3- InChIKey
PVEKCJDLSKEOIG-UHFFFAOYSA-N- Molecular formula
- C17H17N5
- Average molar mass
- 291.35 g/mol
- Monoisotopic mass
- 291.14839556
Names & identifiers
- Preferred name
- Pyrimido(4,5-c)isoquinoline-1,3-diamine, 7,8,9,10-tetrahydro-6-phenyl-
- IUPAC
- 6-phenyl-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine
Names & synonyms
PY68753661-24-8Pyrimido(4,5-c)isoquinoline-1,3-diamine, 7,8,9,10-tetrahydro-6-phenyl-6-phenyl-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diaminePyrimido[4,5-c]isoquinoline-1,3-diamine, 7,8,9,10-tetrahydro-6-phenyl-SCHEMBL29380495DTXSID10201900
Database identifiers
- CAS
53661-24-8- PubChem CID
- 456367
- DTXSID
DTXSID10201900
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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