5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
Thuốc Gốc
Small Molecule
CTHH: C18H17ClN4
PTK: 324.807
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
324.807
Monoisotopic mass
324.114174271
InChI
InChI=1S/C18H17ClN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChI Key
InChIKey=HIUOABSWQSUEGK-UHFFFAOYSA-N
IUPAC Name
5-chloro-6-methyl-N-(2-phenylethyl)-2-(pyridin-2-yl)pyrimidin-4-amine
Traditional IUPAC Name
5-chloro-6-methyl-N-(2-phenylethyl)-2-(pyridin-2-yl)pyrimidin-4-amine
SMILES
CC1=C(Cl)C(NCCC2=CC=CC=C2)=NC(=N1)C1=NC=CC=C1
Độ hòa tan
8.31e-03 g/l
logP
4.5
logS
-4.6
pKa (strongest acidic)
17.94
pKa (Strongest Basic)
4.1
PSA
50.7 Å2
Refractivity
104.88 m3·mol-1
Polarizability
35.32 Å3
Rotatable Bond Count
5
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
PubChem Compound
PubChem Substance
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