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1150644-38-4 | 4-Pyrimidinecarboxylic acid, 6-methyl-2-(propylamino)-
CAS No: 1150644-38-4 Catalog No: AG000FUV MDL No:
Product Description
Catalog Number:
AG000FUV
Chemical Name:
4-Pyrimidinecarboxylic acid, 6-methyl-2-(propylamino)-
CAS Number:
1150644-38-4
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
IUPAC Name:
6-methyl-2-(propylamino)pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C9H13N3O2/c1-3-4-10-9-11-6(2)5-7(12-9)8(13)14/h5H,3-4H2,1-2H3,(H,13,14)(H,10,11,12)
InChI Key:
XMDVFSJYNWDNDH-UHFFFAOYSA-N
SMILES:
CCCNc1nc(C)cc(n1)C(=O)O
Properties
Complexity:
199
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:
4
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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