2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine
Thuốc Gốc
Small Molecule
CTHH: C17H20N6O2
PTK: 340.3797
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
340.3797
Monoisotopic mass
340.164773914
InChI
InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
InChI Key
InChIKey=XWCCXDBXMCTZPW-UHFFFAOYSA-N
IUPAC Name
6-N-[(3,5-dimethoxyphenyl)methyl]-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
Traditional IUPAC Name
6-N-[(3,5-dimethoxyphenyl)methyl]-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
SMILES
COC1=CC(OC)=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=C1
Độ hòa tan
3.38e-01 g/l
logP
1.66
logS
-3
pKa (strongest acidic)
16.08
pKa (Strongest Basic)
4.3
PSA
112.41 Å2
Refractivity
99.84 m3·mol-1
Polarizability
35.13 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
8
H Bond Donor Count
2
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
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading