Basic information
- CAS
92736-14-6- Standard SMILES
Cc1cnc(NCCCCNc2ncc(C)c(-c3ccccc3O)n2)nc1-c1ccccc1O- InChIKey
RGVUQNQWINUCTH-UHFFFAOYSA-N- Molecular formula
- C26H28N6O2
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.22737416
Names & identifiers
- Preferred name
- 2-[2-[4-[[4-(2-Hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]butylamino]-5-methylpyrimidin-4-yl]phenol
- IUPAC
- 2-[2-[4-[[4-(2-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]butylamino]-5-methylpyrimidin-4-yl]phenol
Names & synonyms
NSC-33868692736-14-6NSC338686CHEMBL557684DTXSID30419540(6E,6'E)-6,6'-{Butane-1,4-diylbis[azanediyl(5-methylpyrimidin-2-yl-4-ylidene)]}di(cyclohexa-2,4-dien-1-one)
Database identifiers
- CAS
92736-14-6- PubChem CID
- 334262
- DTXSID
DTXSID30419540- ChEMBL
CHEMBL557684
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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