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1672-50-0 | 4(3H)-Pyrimidinone, 5,6-diamino-
CAS No: 1672-50-0 Catalog No: AG001X7L MDL No:MFCD00235031
Product Description
Catalog Number:
AG001X7L
Chemical Name:
4(3H)-Pyrimidinone, 5,6-diamino-
CAS Number:
1672-50-0
Molecular Formula:
C4H6N4O
Molecular Weight:
126.1166
MDL Number:
MFCD00235031
IUPAC Name:
4,5-diamino-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H6N4O/c5-2-3(6)7-1-8-4(2)9/h1H,5H2,(H3,6,7,8,9)
InChI Key:
PWRHKLKFADDKHS-UHFFFAOYSA-N
SMILES:
Nc1c(N)nc[nH]c1=O
NSC Number:
36908
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.054g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
126.119g/mol
Monoisotopic Mass:
126.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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