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Home Nitriles 2,4-Diaminopyrimidine-5-carbonitrile

2,4-Diaminopyrimidine-5-carbonitrile

CAS No.:
16462-27-4
Catalog Number:
AG001V02
Molecular Formula:
C5H5N5
Molecular Weight:
135.1267
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$207
- +
10g
95%
In Stock USA
United States
$307
- +
25g
95%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG001V02
Chemical Name:
2,4-Diaminopyrimidine-5-carbonitrile
CAS Number:
16462-27-4
Molecular Formula:
C5H5N5
Molecular Weight:
135.1267
MDL Number:
MFCD00085600
IUPAC Name:
2,4-diaminopyrimidine-5-carbonitrile
InChI:
InChI=1S/C5H5N5/c6-1-3-2-9-5(8)10-4(3)7/h2H,(H4,7,8,9,10)
InChI Key:
OYUQCQCQLDTRHQ-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(nc1N)N
NSC Number:
135235
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.054g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
135.13g/mol
Monoisotopic Mass:
135.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
7'-Amino-1'H-spiro-[cyclo-heptane-1,2'-pyrimido[4,5-d]pyrimidin]-4'(3'H)-one. Acta crystallographica. Section E, Structure reports online 20120801
Properties