Tìm theo
2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine
Thuốc Gốc
Small Molecule
CTHH: C19H24N6O3
PTK: 384.4323
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H24N6O3
Phân tử khối
384.4323
Monoisotopic mass
384.190988664
InChI
InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24)
InChI Key
InChIKey=PEGMMEYCSOZKIT-UHFFFAOYSA-N
IUPAC Name
5-methyl-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine
Traditional IUPAC Name
5-methyl-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine
SMILES
COC1=CC(=CC(OC)=C1OC)N(C)CC1=C(C)C2=C(N)N=C(N)N=C2N=C1
Độ hòa tan
1.88e-01 g/l
logP
2.02
logS
-3.3
pKa (strongest acidic)
16.06
pKa (Strongest Basic)
3.89
PSA
121.64 Å2
Refractivity
111.35 m3·mol-1
Polarizability
41.4 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
9
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02104
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=447815
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508492
ChemSpider
http://www.chemspider.com/Chemical-Structure.394797.html
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