Tìm theo
9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine
Thuốc Gốc
Small Molecule
CTHH: C17H21N5O
PTK: 311.3815
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
311.3815
Monoisotopic mass
311.174610319
InChI
InChI=1S/C17H21N5O/c1-3-4-8-22-14(10-12-6-5-7-13(9-12)23-2)21-15-16(18)19-11-20-17(15)22/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,19,20)
InChI Key
InChIKey=BWLWUGBHOXIUBP-UHFFFAOYSA-N
IUPAC Name
9-butyl-8-[(3-methoxyphenyl)methyl]-9H-purin-6-amine
Traditional IUPAC Name
9-butyl-8-[(3-methoxyphenyl)methyl]purin-6-amine
SMILES
CCCCN1C(CC2=CC=CC(OC)=C2)=NC2=C(N)N=CN=C12
Độ hòa tan
7.24e-02 g/l
logP
2.82
logS
-3.6
pKa (strongest acidic)
18.6
pKa (Strongest Basic)
5.07
PSA
78.85 Å2
Refractivity
91 m3·mol-1
Polarizability
34.49 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
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