4-(Fluorophenyl)-1-Cyclopropylmethyl-5-(2-Amino-4-Pyrimidinyl)Imidazole
Thuốc Gốc
Small Molecule
CTHH: C17H16FN5
PTK: 309.3408
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
309.3408
Monoisotopic mass
309.138973742
InChI
InChI=1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22)
InChI Key
InChIKey=DFEYXQGDDCDXJK-UHFFFAOYSA-N
IUPAC Name
4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine
Traditional IUPAC Name
4-[3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
SMILES
NC1=NC(=CC=N1)C1=C(N=CN1CC1CC1)C1=CC=C(F)C=C1
Độ hòa tan
6.18e-02 g/l
logP
2.91
logS
-3.7
pKa (strongest acidic)
16.38
pKa (Strongest Basic)
4.8
PSA
69.62 Å2
Refractivity
86.78 m3·mol-1
Polarizability
31.63 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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