Basic information
- CAS
92736-13-5- Standard SMILES
Cc1cnc(NCCCNc2ncc(C)c(-c3ccccc3O)n2)nc1-c1ccccc1O- InChIKey
TYFKXVZJLHUXDY-UHFFFAOYSA-N- Molecular formula
- C25H26N6O2
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.21172409
Names & identifiers
- Preferred name
- 2-[2-[3-[[4-(2-Hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]propylamino]-5-methylpyrimidin-4-yl]phenol
- IUPAC
- 2-[2-[3-[[4-(2-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]propylamino]-5-methylpyrimidin-4-yl]phenol
Names & synonyms
NSC33868592736-13-5DTXSID20419539NSC-338685(6E,6'E)-6,6'-{Propane-1,3-diylbis[azanediyl(5-methylpyrimidin-2-yl-4-ylidene)]}di(cyclohexa-2,4-dien-1-one)
Database identifiers
- CAS
92736-13-5- PubChem CID
- 334261
- DTXSID
DTXSID20419539
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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