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1421025-21-9 | 1-Piperidinecarboxylic acid, 3-(2-pyrimidinylamino)-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1421025-21-9 Catalog No: AG001HSJ MDL No:
Product Description
Catalog Number:
AG001HSJ
Chemical Name:
1-Piperidinecarboxylic acid, 3-(2-pyrimidinylamino)-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1421025-21-9
Molecular Formula:
C14H22N4O2
Molecular Weight:
278.3501
IUPAC Name:
tert-butyl (3R)-3-(pyrimidin-2-ylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-9-4-6-11(10-18)17-12-15-7-5-8-16-12/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,15,16,17)/t11-/m1/s1
InChI Key:
UZMUBCWRNOHDJI-LLVKDONJSA-N
SMILES:
O=C(N1CCC[C@H](C1)Nc1ncccn1)OC(C)(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
278.174g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.356g/mol
Monoisotopic Mass:
278.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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