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89549-71-3 | 5-Pyrimidinecarbonitrile, 4-methyl-6-(phenylamino)-
CAS No: 89549-71-3 Catalog No: AG003ZQM MDL No:
Product Description
Catalog Number:
AG003ZQM
Chemical Name:
5-Pyrimidinecarbonitrile, 4-methyl-6-(phenylamino)-
CAS Number:
89549-71-3
Molecular Formula:
C12H10N4
Molecular Weight:
210.2346
IUPAC Name:
4-anilino-6-methylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C12H10N4/c1-9-11(7-13)12(15-8-14-9)16-10-5-3-2-4-6-10/h2-6,8H,1H3,(H,14,15,16)
InChI Key:
JICRBABGJMNRCM-UHFFFAOYSA-N
SMILES:
N#Cc1c(ncnc1C)Nc1ccccc1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.24g/mol
Monoisotopic Mass:
210.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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