Home Nitriles 4,6-Dimethylpyrimidine-2-carbonitrile

4,6-Dimethylpyrimidine-2-carbonitrile

CAS No.:
22126-16-5
Catalog Number:
AG0033VK
Molecular Formula:
C7H7N3
Molecular Weight:
133.1506
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$250
- +
10g
98%
In Stock USA
United States
$450
- +
25g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG0033VK
Chemical Name:
4,6-Dimethylpyrimidine-2-carbonitrile
CAS Number:
22126-16-5
Molecular Formula:
C7H7N3
Molecular Weight:
133.1506
MDL Number:
MFCD00184767
IUPAC Name:
4,6-dimethylpyrimidine-2-carbonitrile
InChI:
InChI=1S/C7H7N3/c1-5-3-6(2)10-7(4-8)9-5/h3H,1-2H3
InChI Key:
UJUJKEOTNKJDHF-UHFFFAOYSA-N
SMILES:
N#Cc1nc(C)cc(n1)C
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.064g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.154g/mol
Monoisotopic Mass:
133.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties