Tìm theo
2-CHLORO-4-ETHYLAMINO-6-(R(+)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE
Thuốc Gốc
Small Molecule
CTHH: C10H15ClN6
PTK: 254.719
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
254.719
Monoisotopic mass
254.104672217
InChI
InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m1/s1
InChI Key
InChIKey=IUCVBFHDSFSEIK-SNVBAGLBSA-N
IUPAC Name
(2R)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile
Traditional IUPAC Name
(2R)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile
SMILES
CCNC1=NC(N[C@](C)(CC)C#N)=NC(Cl)=N1
Độ hòa tan
2.96e-01 g/l
logP
2.48
logS
-2.9
pKa (strongest acidic)
14.4
pKa (Strongest Basic)
-0.43
PSA
86.52 Å2
Refractivity
71.84 m3·mol-1
Polarizability
26.01 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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