5-{[Ethyl(Methyl)Amino]Methyl}-2-Methyl-5,6-Dihydropyrimidin-4-Amine
Thuốc Gốc
Small Molecule
CTHH: C9H16N4
PTK: 180.2501
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H16N4
Phân tử khối
180.2501
Monoisotopic mass
180.137496532
InChI
InChI=1S/C9H16N4/c1-4-13(3)6-8-5-11-7(2)12-9(8)10/h5H,4,6H2,1-3H3,(H2,10,11,12)
InChI Key
InChIKey=UMZINNCUCWRLDQ-UHFFFAOYSA-N
IUPAC Name
5-{[ethyl(methyl)amino]methyl}-2-methylpyrimidin-4-amine
Traditional IUPAC Name
5-{[ethyl(methyl)amino]methyl}-2-methylpyrimidin-4-amine
SMILES
CCN(C)CC1=CN=C(C)N=C1N
Độ hòa tan
5.86e+00 g/l
logP
0.68
logS
-1.5
pKa (Strongest Basic)
7.78
PSA
55.04 Å2
Refractivity
55.65 m3·mol-1
Polarizability
20.49 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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