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89549-69-9 | 5-Pyrimidinecarbonitrile, 4-(4-methoxyphenyl)-6-(phenylamino)-
CAS No: 89549-69-9 Catalog No: AG003YDC MDL No:
Product Description
Catalog Number:
AG003YDC
Chemical Name:
5-Pyrimidinecarbonitrile, 4-(4-methoxyphenyl)-6-(phenylamino)-
CAS Number:
89549-69-9
Molecular Formula:
C18H14N4O
Molecular Weight:
302.3300
IUPAC Name:
4-anilino-6-(4-methoxyphenyl)pyrimidine-5-carbonitrile
InChI:
InChI=1S/C18H14N4O/c1-23-15-9-7-13(8-10-15)17-16(11-19)18(21-12-20-17)22-14-5-3-2-4-6-14/h2-10,12H,1H3,(H,20,21,22)
InChI Key:
VZXGKYDILZVLFK-UHFFFAOYSA-N
SMILES:
N#Cc1c(ncnc1c1ccc(cc1)OC)Nc1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.337g/mol
Monoisotopic Mass:
302.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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