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70183-20-9 | 5-Pyrimidinecarbonitrile, 2,4-diamino-6-phenyl-
CAS No: 70183-20-9 Catalog No: AG005KQ6 MDL No:
Product Description
Catalog Number:
AG005KQ6
Chemical Name:
5-Pyrimidinecarbonitrile, 2,4-diamino-6-phenyl-
CAS Number:
70183-20-9
Molecular Formula:
C11H9N5
Molecular Weight:
211.2227
IUPAC Name:
2,4-diamino-6-phenylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C11H9N5/c12-6-8-9(7-4-2-1-3-5-7)15-11(14)16-10(8)13/h1-5H,(H4,13,14,15,16)
InChI Key:
GYCFUXMFRNMXHJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)nc(nc1c1ccccc1)N
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.228g/mol
Monoisotopic Mass:
211.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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