5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine
Thuốc Gốc
Small Molecule
CTHH: C19H22N4O3
PTK: 354.403
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
354.403
Monoisotopic mass
354.16919059
InChI
InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m0/s1
InChI Key
InChIKey=HWJPWWYTGBZDEG-AWEZNQCLSA-N
IUPAC Name
5-{[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine
Traditional IUPAC Name
5-{[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine
SMILES
[H][C@@]1(OC2=C(OC)C(OC)=CC(CC3=C(N)N=C(N)N=C3)=C2C=C1)C1CC1
Độ hòa tan
1.42e-01 g/l
logP
2.49
logS
-3.4
pKa (strongest acidic)
17.32
pKa (Strongest Basic)
7.15
PSA
105.51 Å2
Refractivity
101.99 m3·mol-1
Polarizability
37.51 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
7
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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