Home Carboxys 4-(Isobutylamino)-2-(methylthio)pyrimidine-5-carboxylic acid

4-(Isobutylamino)-2-(methylthio)pyrimidine-5-carboxylic acid

CAS No.:
1015856-38-8
Catalog Number:
AG00H9IH
Molecular Formula:
C10H15N3O2S
Molecular Weight:
241.3100
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$783
- +
Product Description
Catalog Number:
AG00H9IH
Chemical Name:
4-(Isobutylamino)-2-(methylthio)pyrimidine-5-carboxylic acid
CAS Number:
1015856-38-8
Molecular Formula:
C10H15N3O2S
Molecular Weight:
241.3100
MDL Number:
MFCD09998272
IUPAC Name:
4-(2-methylpropylamino)-2-methylsulfanylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C10H15N3O2S/c1-6(2)4-11-8-7(9(14)15)5-12-10(13-8)16-3/h5-6H,4H2,1-3H3,(H,14,15)(H,11,12,13)
InChI Key:
LKHAICSPPZRUHL-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(=NCC(C)C)[nH]1)C(=O)O
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.088g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.309g/mol
Monoisotopic Mass:
241.088g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties