4-[2,4-Diamino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol
Basic information
- CAS
6967-77-7- Standard SMILES
Nc1nc(N)c2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2n1- InChIKey
OQWMHOAPOCKKHC-UHFFFAOYSA-N- Molecular formula
- C18H14N6O2
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.11782371
Names & identifiers
- Preferred name
- 4-[2,4-Diamino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol
- IUPAC
- 4-[2,4-diamino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol
Names & synonyms
6967-77-7M7ZN3T2AAXUNII-M7ZN3T2AAXNSC 676344-(2,4-diamino-7-(4-hydroxyphenyl)pteridin-6-yl)phenol4-[2,4-diamino-7-(4-hydroxyphenyl)pteridin-6-yl]phenolNSC-67634PHENOL, 4,4'-(2,4-DIAMINO-6,7-PTERIDINEDIYL)BIS-PHENOL, 4,4'-(2,4-DIAMINO-6,7-PTERIDINEDIYL)DI-4-(2,4-DIAMINO-6-(4-HYDROXYPHENYL)-7-PTERIDINYL)PHENOLPHENOL, 4-(2,4-DIAMINO-6-(4-HYDROXYPHENYL)-7-PTERIDINYL)-RefChem:96984
Show more names
NSC67634CHEMBL395726diaminopteridine derivative, 20BDBM25097DTXSID409898204,4'-(4-Amino-2-imino-2,3-dihydropteridine-6,7-diyl)diphenol
Database identifiers
- CAS
6967-77-7- PubChem CID
- 249363
- DTXSID
DTXSID40989820- ChEMBL
CHEMBL395726- UNII
- M7ZN3T2AAX
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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