Cp-166572, 2-Hydroxymethyl-4-(4-N,N-Dimethylaminosulfonyl-1-Piperazino)-Pyrimidine
Thuốc Gốc
Small Molecule
CTHH: C11H19N5O3S
PTK: 301.365
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H19N5O3S
Phân tử khối
301.365
Monoisotopic mass
301.120860189
InChI
InChI=1S/C11H19N5O3S/c1-14(2)20(18,19)16-7-5-15(6-8-16)11-3-4-12-10(9-17)13-11/h3-4,17H,5-9H2,1-2H3
InChI Key
InChIKey=XDTHNROWHAAVPJ-UHFFFAOYSA-N
IUPAC Name
4-[2-(hydroxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
Traditional IUPAC Name
4-[2-(hydroxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILES
CN(C)S(=O)(=O)N1CCN(CC1)C1=CC=NC(CO)=N1
Độ hòa tan
8.78e+00 g/l
logP
-0.69
logS
-1.5
pKa (strongest acidic)
13.55
pKa (Strongest Basic)
4.82
PSA
89.87 Å2
Refractivity
76.28 m3·mol-1
Polarizability
30.97 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
7
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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