2-(2-amino-6-methyl-5-phenylpyrimidin-4-yl)-5-[(2-methylphenyl)methoxy]phenol
AlkaPlorer ID: AK197644
Synonym: None
IUPAC Name: 2-(2-amino-6-methyl-5-phenylpyrimidin-4-yl)-5-[(2-methylphenyl)methoxy]phenol
Structure
SMILES: CC1=CC=CC=C1COC1=CC=C(C2=NC(N)=NC(C)=C2C2=CC=CC=C2)C(O)=C1
InChI: InChI=1S/C25H23N3O2/c1-16-8-6-7-11-19(16)15-30-20-12-13-21(22(29)14-20)24-23(17(2)27-25(26)28-24)18-9-4-3-5-10-18/h3-14,29H,15H2,1-2H3,(H2,26,27,28)
InChIKey: DTHQMLWAZKCSNG-UHFFFAOYSA-N
Reference
Bioactive Quassinoids from the Seeds of <i>Brucea javanica</i>
PubChem CID: 3694935
SuperNatural Ⅲ: SN0074883
COCONUT: CNP0110267
Source
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Properties Information
Molecule Weight: 397.4780000000001
TPSA？: 81.26
MolLogP？: 5.294240000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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