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253315-06-9 | 2-PYRROLIDIN-1-YLPYRIMIDINE-5-CARBOXYLIC ACID
CAS No: 253315-06-9 Catalog No: AG00C1ZT MDL No:MFCD09054869
Product Description
Catalog Number:
AG00C1ZT
Chemical Name:
2-PYRROLIDIN-1-YLPYRIMIDINE-5-CARBOXYLIC ACID
CAS Number:
253315-06-9
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
MDL Number:
MFCD09054869
IUPAC Name:
2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C9H11N3O2/c13-8(14)7-5-10-9(11-6-7)12-3-1-2-4-12/h5-6H,1-4H2,(H,13,14)
InChI Key:
BARCKZNRVNLERF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(nc1)N1CCCC1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.206g/mol
Monoisotopic Mass:
193.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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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