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1261233-64-0 | Carbamic acid, N-[1-(4-chloro-6-methyl-2-pyrimidinyl)-3-piperidinyl]-N-methyl-, 1,1-dimethylethyl ester
CAS No: 1261233-64-0 Catalog No: AG000ROF MDL No:MFCD18380537
Product Description
Catalog Number:
AG000ROF
Chemical Name:
Carbamic acid, N-[1-(4-chloro-6-methyl-2-pyrimidinyl)-3-piperidinyl]-N-methyl-, 1,1-dimethylethyl ester
CAS Number:
1261233-64-0
Molecular Formula:
C16H25ClN4O2
Molecular Weight:
340.8483
MDL Number:
MFCD18380537
IUPAC Name:
tert-butyl N-[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
InChI:
InChI=1S/C16H25ClN4O2/c1-11-9-13(17)19-14(18-11)21-8-6-7-12(10-21)20(5)15(22)23-16(2,3)4/h9,12H,6-8,10H2,1-5H3
InChI Key:
QXOOTSIHVMNIDI-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)nc(n1)N1CCCC(C1)N(C(=O)OC(C)(C)C)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.167g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.852g/mol
Monoisotopic Mass:
340.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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