Tìm theo
1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Thuốc Gốc
Small Molecule
CTHH: C17H21N5
PTK: 295.3821
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H21N5
Phân tử khối
295.3821
Monoisotopic mass
295.179695697
InChI
InChI=1S/C17H21N5/c1-11-6-5-7-12(8-11)9-13-14-15(18)19-10-20-16(14)22(21-13)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19,20)
InChI Key
InChIKey=FYCOTGCSHZKHPR-UHFFFAOYSA-N
IUPAC Name
1-tert-butyl-3-[(3-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Traditional IUPAC Name
1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILES
CC1=CC(CC2=NN(C3=C2C(N)=NC=N3)C(C)(C)C)=CC=C1
Độ hòa tan
5.09e-02 g/l
logP
3.16
logS
-3.8
pKa (strongest acidic)
19.98
pKa (Strongest Basic)
6.39
PSA
69.62 Å2
Refractivity
101.08 m3·mol-1
Polarizability
32.93 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
http://www.drugbank.ca/drugs/DB08699
ChemSpider
http://www.chemspider.com/Chemical-Structure.23976079.html
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