N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
Thuốc Gốc
Small Molecule
CTHH: C17H19N5S
PTK: 325.431
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
325.431
Monoisotopic mass
325.136116323
InChI
InChI=1S/C17H19N5S/c1-11-16(23-12(2)19-11)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)22(3)4/h5-10H,1-4H3,(H,18,20,21)
InChI Key
InChIKey=FGGSNQOBRJVAKL-UHFFFAOYSA-N
IUPAC Name
4-N-[4-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N,1-N-dimethylbenzene-1,4-diamine
Traditional IUPAC Name
4-N-[4-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N,1-N-dimethylbenzene-1,4-diamine
SMILES
CN(C)C1=CC=C(NC2=NC(=CC=N2)C2=C(C)N=C(C)S2)C=C1
Độ hòa tan
1.41e-02 g/l
logP
3.22
logS
-4.4
pKa (strongest acidic)
14.57
pKa (Strongest Basic)
5.85
PSA
53.94 Å2
Refractivity
94.37 m3·mol-1
Polarizability
36 Å3
Rotatable Bond Count
4
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
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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