2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-[(4-fluorophenyl)methoxy]phenol
AlkaPlorer ID: AK194962
Synonym: None
IUPAC Name: 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-[(4-fluorophenyl)methoxy]phenol
Structure
SMILES: COC1=CC=C(C2=CN=C(N)N=C2C2=CC=C(OCC3=CC=C(F)C=C3)C=C2O)C=C1
InChI: InChI=1S/C24H20FN3O3/c1-30-18-8-4-16(5-9-18)21-13-27-24(26)28-23(21)20-11-10-19(12-22(20)29)31-14-15-2-6-17(25)7-3-15/h2-13,29H,14H2,1H3,(H2,26,27,28)
InChIKey: WAXFWUZJKQAPQQ-UHFFFAOYSA-N
Reference
Alkaloids from the Root of <i>Isatis indigotica</i>
PubChem CID: 3348272
SuperNatural Ⅲ: SN0405343
COCONUT: CNP0063238
Source
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Properties Information
Molecule Weight: 417.44000000000005
TPSA？: 90.49
MolLogP？: 4.825100000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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