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16357-69-0 | 5-Pyrimidinecarbonitrile, 4-amino-
CAS No: 16357-69-0 Catalog No: AG001U8O MDL No:MFCD00054552
Product Description
Catalog Number:
AG001U8O
Chemical Name:
5-Pyrimidinecarbonitrile, 4-amino-
CAS Number:
16357-69-0
Molecular Formula:
C5H4N4
Molecular Weight:
120.1121
MDL Number:
MFCD00054552
IUPAC Name:
4-aminopyrimidine-5-carbonitrile
InChI:
InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)
InChI Key:
JAIYUIOGVNRXEW-UHFFFAOYSA-N
SMILES:
N#Cc1cncnc1N
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.044g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
120.115g/mol
Monoisotopic Mass:
120.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| A convenient one-pot synthesis of 3-amino-2, 5-dihydropyridazine and pyrimidine derivatives in the presence of high surface area MgO as a highly effective heterogeneous base catalyst. | Molecular diversity 20100501 |
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