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Home Other Building Blocks N-(6-Oxo-6,7-dihydro-1h-purin-2-yl)isobutyramide

N-(6-Oxo-6,7-dihydro-1h-purin-2-yl)isobutyramide

CAS No.:
21047-89-2
Catalog Number:
AG002KSV
Molecular Formula:
C9H11N5O2
Molecular Weight:
221.2159
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$69
- +
10g
97%
In Stock USA
United States
$119
- +
25g
97%
In Stock USA
United States
$238
- +
100g
97%
In Stock USA
United States
$694
- +
Product Description
Catalog Number:
AG002KSV
Chemical Name:
N-(6-Oxo-6,7-dihydro-1h-purin-2-yl)isobutyramide
CAS Number:
21047-89-2
Molecular Formula:
C9H11N5O2
Molecular Weight:
221.2159
MDL Number:
MFCD16038625
IUPAC Name:
2-methyl-N-(6-oxo-1,7-dihydropurin-2-yl)propanamide
InChI:
InChI=1S/C9H11N5O2/c1-4(2)7(15)13-9-12-6-5(8(16)14-9)10-3-11-6/h3-4H,1-2H3,(H3,10,11,12,13,14,15,16)
InChI Key:
CFIBTBBTJWHPQV-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Nc1[nH]c(=O)c2c(n1)[nH]cn2
NSC Number:
637538
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.091g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
221.22g/mol
Monoisotopic Mass:
221.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
[Polymethylene derivatives of nucleic bases bearing omega-functional groups. VIII. omega-oxo-omega-phenylalkyl pyrimidines and purines]. Bioorganicheskaia khimiia 20100101
[Polymethylene derivatives of nucleic bases with omega-functional groups: VII. Cytotoxicity in the series of N-(2-oxocyclohexyl)-omega-oxoalkyl substituted purines and pyrimidines]. Bioorganicheskaia khimiia 20090101
Properties