Home Nitriles 5-Pyrimidinecarbonitrile, 4-amino-2-cyclopropyl-

5-Pyrimidinecarbonitrile, 4-amino-2-cyclopropyl-

CAS No.:
23662-47-7
Catalog Number:
AG00CCF3
Molecular Formula:
C8H8N4
Molecular Weight:
160.1759
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Product Description
Catalog Number:
AG00CCF3
Chemical Name:
5-Pyrimidinecarbonitrile, 4-amino-2-cyclopropyl-
CAS Number:
23662-47-7
Molecular Formula:
C8H8N4
Molecular Weight:
160.1759
MDL Number:
MFCD11054237
IUPAC Name:
4-amino-2-cyclopropylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C8H8N4/c9-3-6-4-11-8(5-1-2-5)12-7(6)10/h4-5H,1-2H2,(H2,10,11,12)
InChI Key:
IQZSBEYDPXQSNV-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(nc1N)C1CC1
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.075g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.18g/mol
Monoisotopic Mass:
160.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties