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76587-28-5 | 5-Pyrimidinecarbonitrile,4,6-diamino-2-methyl-
CAS No: 76587-28-5 Catalog No: AG005KC5 MDL No:
Product Description
Catalog Number:
AG005KC5
Chemical Name:
5-Pyrimidinecarbonitrile,4,6-diamino-2-methyl-
CAS Number:
76587-28-5
Molecular Formula:
C6H7N5
Molecular Weight:
149.1533
IUPAC Name:
4,6-diamino-2-methylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C6H7N5/c1-3-10-5(8)4(2-7)6(9)11-3/h1H3,(H4,8,9,10,11)
InChI Key:
AOOIPJVCCZPHBP-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)nc(nc1N)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.07g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.157g/mol
Monoisotopic Mass:
149.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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