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1142201-84-0 | 2(1H)-Pyrimidinone, 5-(2-aminoethyl)-6-hydroxy-1-methyl-
CAS No: 1142201-84-0 Catalog No: AG000AV9 MDL No:MFCD12028110
Product Description
Catalog Number:
AG000AV9
Chemical Name:
2(1H)-Pyrimidinone, 5-(2-aminoethyl)-6-hydroxy-1-methyl-
CAS Number:
1142201-84-0
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD12028110
IUPAC Name:
5-(2-aminoethyl)-3-methyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C7H11N3O2/c1-10-6(11)5(2-3-8)4-9-7(10)12/h4H,2-3,8H2,1H3,(H,9,12)
InChI Key:
GSQLRVMHRMUSFO-UHFFFAOYSA-N
SMILES:
NCCc1cnc(=O)n(c1O)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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