5-Pyrimidinecarboxaldehyde, 2,4-diamino-


Chemical Name: 5-Pyrimidinecarboxaldehyde, 2,4-diamino-
CAS Number: 20781-06-0
Product Number: AG002JBR(AGN-PC-0JORI8)
Synonyms:
MDL No:
Molecular Formula: C5H6N4O
Molecular Weight: 138.1273

Identification/Properties


Computed Properties
Molecular Weight:
138.13g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
138.054g/mol
Monoisotopic Mass:
138.054g/mol
Topological Polar Surface Area:
94.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
129
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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