Tìm theo
4-Amino-5-Hydroxymethyl-2-Methylpyrimidine
Thuốc Gốc
Small Molecule
CAS: 73-67-6
CTHH: C6H9N3O
PTK: 139.1552
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H9N3O
Phân tử khối
139.1552
Monoisotopic mass
139.074561925
InChI
InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)
InChI Key
InChIKey=VUTBELPREDJDDH-UHFFFAOYSA-N
IUPAC Name
(4-amino-2-methylpyrimidin-5-yl)methanol
Traditional IUPAC Name
toxopyrimidine
SMILES
CC1=NC=C(CO)C(N)=N1
Độ tan chảy
198 °C
Độ hòa tan
1.20e+01 g/l
logP
-0.36
logS
-1.1
pKa (strongest acidic)
14.41
pKa (Strongest Basic)
6.17
PSA
72.03 Å2
Refractivity
39.18 m3·mol-1
Polarizability
14.2 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02022
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=777
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508420
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C01279
ChemSpider
http://www.chemspider.com/Chemical-Structure.756.html
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