Home Carboxys 2-isopropyl-5-(methylamino)pyrimidine-4-carboxylic acid

2-isopropyl-5-(methylamino)pyrimidine-4-carboxylic acid

CAS No.:
1249356-17-9
Catalog Number:
AG01BTIP
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
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Product Description
Catalog Number:
AG01BTIP
Chemical Name:
2-isopropyl-5-(methylamino)pyrimidine-4-carboxylic acid
CAS Number:
1249356-17-9
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
MDL Number:
MFCD16672313
IUPAC Name:
5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C9H13N3O2/c1-5(2)8-11-4-6(10-3)7(12-8)9(13)14/h4-5,10H,1-3H3,(H,13,14)
InChI Key:
UPGVPDNSYVSTHP-UHFFFAOYSA-N
SMILES:
CNc1cnc(nc1C(=O)O)C(C)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties