Basic information
- CAS
80498-74-4- Standard SMILES
c1cc(-c2ccc(-c3ccc(C4=NCCCN4)cc3)o2)ccc1C1=NCCCN1- InChIKey
DPZHKMWQVLEILB-UHFFFAOYSA-N- Molecular formula
- C24H24N4O
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.19501139
Names & identifiers
- Preferred name
- Pyrimidine, 2,2'-(2,5-furandiyldi-4,1-phenylene)bis[1,4,5,6-tetrahydro-
- IUPAC
- 2-[4-[5-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]furan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine
Names & synonyms
CHEMBL173975NSC714620AK.552-[4-[5-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-2-furyl]phenyl]-1,4,5,6-tetrahydropyrimidine80498-74-4Pyrimidine, 2,2'-(2,5-furandiyldi-4,1-phenylene)bis[1,4,5,6-tetrahydro-CHEMBL520082SCHEMBL7724230DTXSID40328013DPZHKMWQVLEILB-UHFFFAOYSA-NBDBM50470684NCI60_039699
Show more names
2,5-bis(4-(3,4,5,6-tetrahydropyrimidin-2-yl)phenyl)furan2,5-bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl] furan2,5-bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]furan2,2'-[Furan-2,5-diyldi(4,1-phenylene)]di-1,4,5,6-tetrahydropyrimidine
Database identifiers
- CAS
80498-74-4- PubChem CID
- 401320
- DTXSID
DTXSID40328013- ChEMBL
CHEMBL173975、CHEMBL520082- Nikkaji
- J664.960B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 550
Related reactions
2 records
Compound notes
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