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89711-99-9 | 2(1H)-Pyrimidinone,6-amino-5-(2-hydroxyethyl)-
CAS No: 89711-99-9 Catalog No: AG0043W1 MDL No:
Product Description
Catalog Number:
AG0043W1
Chemical Name:
2(1H)-Pyrimidinone,6-amino-5-(2-hydroxyethyl)-
CAS Number:
89711-99-9
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
IUPAC Name:
6-amino-5-(2-hydroxyethyl)-1H-pyrimidin-2-one
InChI:
InChI=1S/C6H9N3O2/c7-5-4(1-2-10)3-8-6(11)9-5/h3,10H,1-2H2,(H3,7,8,9,11)
InChI Key:
NOYYUQCJSFZZIM-UHFFFAOYSA-N
SMILES:
OCCc1c[nH]c(=O)nc1N
NSC Number:
528417
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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