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139399-51-2 | Butanoic acid, 4-[(4,6-dimethyl-2-pyrimidinyl)amino]-
CAS No: 139399-51-2 Catalog No: AG001AXN MDL No:
Product Description
Catalog Number:
AG001AXN
Chemical Name:
Butanoic acid, 4-[(4,6-dimethyl-2-pyrimidinyl)amino]-
CAS Number:
139399-51-2
Molecular Formula:
C10H15N3O2
Molecular Weight:
209.2450
IUPAC Name:
4-[(4,6-dimethylpyrimidin-2-yl)amino]butanoic acid
InChI:
InChI=1S/C10H15N3O2/c1-7-6-8(2)13-10(12-7)11-5-3-4-9(14)15/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,13)
InChI Key:
BVTPAQUYSVYQDA-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNc1nc(C)cc(n1)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.249g/mol
Monoisotopic Mass:
209.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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