2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine
Thuốc Gốc
Small Molecule
CTHH: C18H22N6O3
PTK: 370.4057
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
370.4057
Monoisotopic mass
370.1753386
InChI
InChI=1S/C18H22N6O3/c1-24(9-10-5-13(25-2)15(27-4)14(6-10)26-3)11-7-12-16(19)22-18(20)23-17(12)21-8-11/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
InChI Key
InChIKey=PUOZHLHNKHRTOW-UHFFFAOYSA-N
IUPAC Name
6-N-methyl-6-N-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
Traditional IUPAC Name
6-N-methyl-6-N-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
SMILES
COC1=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=CC(OC)=C1OC
Độ hòa tan
3.51e-01 g/l
logP
1.51
logS
-3
pKa (strongest acidic)
16.08
pKa (Strongest Basic)
4.3
PSA
121.64 Å2
Refractivity
106.31 m3·mol-1
Polarizability
37.74 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
PubChem Compound
PubChem Substance
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