Home Aminos (4-aminopyrimidin-5-yl)methanol

(4-aminopyrimidin-5-yl)methanol

CAS No.:
7730-23-6
Catalog Number:
AG0054RY
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
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Product Description
Catalog Number:
AG0054RY
Chemical Name:
(4-aminopyrimidin-5-yl)methanol
CAS Number:
7730-23-6
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
MDL Number:
MFCD09754027
IUPAC Name:
(4-aminopyrimidin-5-yl)methanol
InChI:
InChI=1S/C5H7N3O/c6-5-4(2-9)1-7-3-8-5/h1,3,9H,2H2,(H2,6,7,8)
InChI Key:
QDTXMVZKZLJQRY-UHFFFAOYSA-N
SMILES:
OCc1cncnc1N
Properties
Complexity:
88.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.059g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
125.131g/mol
Monoisotopic Mass:
125.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
Structural characterization of the regulatory proteins TenA and TenI from Bacillus subtilis and identification of TenA as a thiaminase II. Biochemistry 20050222
Properties