N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine
Thuốc Gốc
Small Molecule
CAS: 175354-76-4
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(9-10-6-12(24-2)4-5-14(10)25-3)11-7-13-15(18)21-17(19)22-16(13)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
InChI Key
InChIKey=HZTFNSCZLJLPEO-UHFFFAOYSA-N
IUPAC Name
6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
Traditional IUPAC Name
6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
SMILES
COC1=CC(CN(C)C2=CC3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1
Độ hòa tan
3.53e-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
36.41 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
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