Home Aminos 2,4-Diamino-6-hydroxy-5-nitropyrimidine

2,4-Diamino-6-hydroxy-5-nitropyrimidine

CAS No.:
3346-23-4
Catalog Number:
AG00CAQI
Molecular Formula:
C4H5N5O3
Molecular Weight:
171.1142
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Product Description
Catalog Number:
AG00CAQI
Chemical Name:
2,4-Diamino-6-hydroxy-5-nitropyrimidine
CAS Number:
3346-23-4
Molecular Formula:
C4H5N5O3
Molecular Weight:
171.1142
MDL Number:
MFCD01365774
IUPAC Name:
2,4-diamino-5-nitro-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H5N5O3/c5-2-1(9(11)12)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)
InChI Key:
XNFGVBWYGFPSDN-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c(c(n1)O)[N+](=O)[O-]
NSC Number:
44924
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
171.116g/mol
Monoisotopic Mass:
171.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties