1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE
Thuốc Gốc
Small Molecule
CTHH: C18H23N5
PTK: 309.4087
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
309.4087
Monoisotopic mass
309.195345761
InChI
InChI=1S/C18H23N5/c1-11-6-7-12(2)13(8-11)9-14-15-16(19)20-10-21-17(15)23(22-14)18(3,4)5/h6-8,10H,9H2,1-5H3,(H2,19,20,21)
InChI Key
InChIKey=QUPXEJURIFFVSX-UHFFFAOYSA-N
IUPAC Name
1-tert-butyl-3-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Traditional IUPAC Name
1-tert-butyl-3-[(2,5-dimethylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILES
CC1=CC=C(C)C(CC2=NN(C3=C2C(N)=NC=N3)C(C)(C)C)=C1
Độ hòa tan
3.10e-02 g/l
logP
3.68
logS
-4
pKa (strongest acidic)
19.98
pKa (Strongest Basic)
6.39
PSA
69.62 Å2
Refractivity
106.12 m3·mol-1
Polarizability
34.99 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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