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148741-64-4 | 5-Pyrimidinecarboxylic acid, 2-[(1-methylethyl)amino]-
CAS No: 148741-64-4 Catalog No: AG001L5Y MDL No:MFCD09864452
Product Description
Catalog Number:
AG001L5Y
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-[(1-methylethyl)amino]-
CAS Number:
148741-64-4
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD09864452
IUPAC Name:
2-(propan-2-ylamino)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C8H11N3O2/c1-5(2)11-8-9-3-6(4-10-8)7(12)13/h3-5H,1-2H3,(H,12,13)(H,9,10,11)
InChI Key:
KHKCJJIQFAWEGW-UHFFFAOYSA-N
SMILES:
CC(Nc1ncc(cn1)C(=O)O)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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