2,2'-(Ethane-1,2-diyl)di-1,4,5,6-tetrahydropyrimidine
Basic information
- CAS
78706-92-0- Standard SMILES
C1CN=C(CCC2=NCCCN2)NC1- InChIKey
BPUNIQXTMLGALS-UHFFFAOYSA-N- Molecular formula
- C10H18N4
- Average molar mass
- 194.28 g/mol
- Monoisotopic mass
- 194.15314659
Names & identifiers
- Preferred name
- 2,2'-(Ethane-1,2-diyl)di-1,4,5,6-tetrahydropyrimidine
- IUPAC
- 2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine
Names & synonyms
78706-92-0DTXSID203990842,2'-(Ethane-1,2-diyl)di-1,4,5,6-tetrahydropyrimidineRefChem:242097DTXCID203499431,2-bis(3,4,5,6-tetrahydropyrimidyl)ethane
Database identifiers
- CAS
78706-92-0- PubChem CID
- 4077433
- DTXSID
DTXSID20399084- Nikkaji
- J825.898H
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
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Compound notes
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