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114687-24-0 | 4(3H)-Pyrimidinone, 2,6-diamino-5-(hydroxyamino)-
CAS No: 114687-24-0 Catalog No: AG000F1L MDL No:
Product Description
Catalog Number:
AG000F1L
Chemical Name:
4(3H)-Pyrimidinone, 2,6-diamino-5-(hydroxyamino)-
CAS Number:
114687-24-0
Molecular Formula:
C4H7N5O2
Molecular Weight:
157.1307
IUPAC Name:
2,4-diamino-5-(hydroxyamino)-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H7N5O2/c5-2-1(9-11)3(10)8-4(6)7-2/h9,11H,(H5,5,6,7,8,10)
InChI Key:
KUBMJLKQPTYPBB-UHFFFAOYSA-N
SMILES:
Nc1nc(N)[nH]c(=O)c1NO
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.06g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
157.133g/mol
Monoisotopic Mass:
157.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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