Basic information
- CAS
21786-88-9- Standard SMILES
C1CN=C(C2=NCCCN2)NC1- InChIKey
XINBBXGGRBAYRK-UHFFFAOYSA-N- Molecular formula
- C8H14N4
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.12184646
Names & identifiers
- Preferred name
- 2,2'-Bipyrimidine, 1,1',4,4',5,5',6,6'-octahydro-
- IUPAC
- 2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidine
Names & synonyms
21786-88-92,2'-Bipyrimidine, 1,1',4,4',5,5',6,6'-octahydro-DTXSID10329794RefChem:242200DTXCID10280891CHEMBL3040039SCHEMBL284282542,2'-bi-1,4,5,6-tetrahydropyrimidine1,1',4,4',5,5',6,6'-Octahydro-2,2'-bipyrimidine
Database identifiers
- CAS
21786-88-9- PubChem CID
- 423909
- DTXSID
DTXSID10329794- ChEMBL
CHEMBL3040039- Nikkaji
- J1.566.032E
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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