2,4-Pyrimidinediamine, 6-(1-pyrrolidinyl)-, 3-oxide


Chemical Name: 2,4-Pyrimidinediamine, 6-(1-pyrrolidinyl)-, 3-oxide
CAS Number: 55921-65-8
Product Number: AG00DE2L(AGN-PC-0OCAAC)
Synonyms:
MDL No:
Molecular Formula: C8H13N5O
Molecular Weight: 195.2217

Identification/Properties


Computed Properties
Molecular Weight:
195.226g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
195.112g/mol
Monoisotopic Mass:
195.112g/mol
Topological Polar Surface Area:
88.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
316
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

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NMR Spectrum


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Chemical Structure



6-(1-Pyrrolidinyl)-2,4-pyrimidinediamine 3-oxide is a versatile compound that finds wide application in chemical synthesis. This compound serves as a valuable building block in the creation of various nitrogen-containing molecules. Its inclusion in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals allows for the efficient construction of complex structures with desired properties. By utilizing 6-(1-Pyrrolidinyl)-2,4-pyrimidinediamine 3-oxide as a key intermediate, chemists are able to access a diverse array of chemical compounds with high efficiency and precision.