Basic information
- CAS
38349-07-4- Standard SMILES
Cc1ccc2c(c1)c(C)c1n2CNCC1- InChIKey
RHOWSXIKPLWSFK-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Names & identifiers
- Preferred name
- Pyrimido(3,4-a)indole, 1,2,3,4-tetrahydro-5,7-dimethyl-
- IUPAC
- 5,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,6-a]indole
- English name
- 5,7-Dimethyl-1,2,3,4-tetrahydropyrimido[1,6-a]indole
- Molecular formula
- C13H16N2
- Molecular weight
- 200.28
Names & synonyms
PYRIMIDO(3,4-a)INDOLE, 1,2,3,4-TETRAHYDRO-5,7-DIMETHYL-38349-07-4DTXSID40191709RefChem:1097542DTXCID301142005,7-Dimethyl-1,2,3,4-tetrahydropyrimido[1,6-a]indole5,7-Dimethyl-1,2,3,4-tetrahydropyrimido(3,4-a)indoleBRN 07463225,7-DIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDO(1,6-A)INDOLERHOWSXIKPLWSFK-UHFFFAOYSA-NPyrimido[1,6-a]indole, 1,2,3,4-tetrahydro-5,7-dimethyl-DB-263411
Show more names
1,2,3,4-Tetrahydro-5,7-dimethylpyrimido[1,6-a]indole
Q633992655,7-Dimethyl-1,2,3,4-tetrahydropyrimido[1,6-a]indole #
Database identifiers
- CAS
38349-07-4- PubChem CID
- 38007
- DTXSID
DTXSID40191709- Nikkaji
- J45.364A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 389.9 · 389.9±30.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 10.03 · 10.03±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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