Tìm theo
8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine
Thuốc Gốc
Small Molecule
CTHH: C14H14FN5O2
PTK: 303.2917
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
303.2917
Monoisotopic mass
303.113152922
InChI
InChI=1S/C14H14FN5O2/c1-21-8-3-4-9(22-2)7(5-8)6-10-17-11-12(16)19-14(15)20-13(11)18-10/h3-5H,6H2,1-2H3,(H3,16,17,18,19,20)
InChI Key
InChIKey=MWHAHELTVGJGFJ-UHFFFAOYSA-N
IUPAC Name
8-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-7H-purin-6-amine
Traditional IUPAC Name
8-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-7H-purin-6-amine
SMILES
COC1=CC(CC2=NC3=NC(F)=NC(N)=C3N2)=C(OC)C=C1
Độ hòa tan
1.73e-01 g/l
logP
1.69
logS
-3.2
pKa (strongest acidic)
10.3
pKa (Strongest Basic)
1.93
PSA
98.94 Å2
Refractivity
81.17 m3·mol-1
Polarizability
29.13 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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