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1150163-72-6 | 5-Pyrimidinecarboxylic acid, 2-[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]-4-methyl-, ethyl ester
CAS No: 1150163-72-6 Catalog No: AG000FO8 MDL No:MFCD12026009
Product Description
Catalog Number:
AG000FO8
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]-4-methyl-, ethyl ester
CAS Number:
1150163-72-6
Molecular Formula:
C17H26N4O4
Molecular Weight:
350.4127
MDL Number:
MFCD12026009
IUPAC Name:
ethyl 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-5-carboxylate
InChI:
InChI=1S/C17H26N4O4/c1-6-24-14(22)13-11-18-15(19-12(13)2)20-7-9-21(10-8-20)16(23)25-17(3,4)5/h11H,6-10H2,1-5H3
InChI Key:
XFJMNTNCTGIQHS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1C)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.195g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.419g/mol
Monoisotopic Mass:
350.195g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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