4-N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine


Chemical Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
CAS Number: 853220-52-7
Product Number: AG00G3S6(AGN-PC-004FKN)
Synonyms:
MDL No:
Molecular Formula: C19H18N4O3
Molecular Weight: 350.3712

Identification/Properties


Computed Properties
Molecular Weight:
350.378g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
350.138g/mol
Monoisotopic Mass:
350.138g/mol
Topological Polar Surface Area:
91.5A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
455
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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