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767342-31-4 | 3-Pyridinamine, N-(2-naphthalenylmethyl)-5-(5-pyrimidinyl)-
CAS No: 767342-31-4 Catalog No: AG005ABV MDL No:
Product Description
Catalog Number:
AG005ABV
Chemical Name:
3-Pyridinamine, N-(2-naphthalenylmethyl)-5-(5-pyrimidinyl)-
CAS Number:
767342-31-4
Molecular Formula:
C20H16N4
Molecular Weight:
312.3678
IUPAC Name:
N-(naphthalen-2-ylmethyl)-5-pyrimidin-5-ylpyridin-3-amine
InChI:
InChI=1S/C20H16N4/c1-2-4-17-7-15(5-6-16(17)3-1)9-24-20-8-18(10-21-13-20)19-11-22-14-23-12-19/h1-8,10-14,24H,9H2
InChI Key:
DWQFOLAPGXZGKS-UHFFFAOYSA-N
SMILES:
c1ncc(cn1)c1cncc(c1)NCc1ccc2c(c1)cccc2
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.376g/mol
Monoisotopic Mass:
312.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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