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1417793-74-8 | 1-Piperidinecarboxylic acid, 3-[[4-(ethylamino)-2-pyrimidinyl]oxy]-, 1,1-dimethylethyl ester
CAS No: 1417793-74-8 Catalog No: AG001H4Y MDL No:
Product Description
Catalog Number:
AG001H4Y
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[4-(ethylamino)-2-pyrimidinyl]oxy]-, 1,1-dimethylethyl ester
CAS Number:
1417793-74-8
Molecular Formula:
C16H26N4O3
Molecular Weight:
322.4026
IUPAC Name:
tert-butyl 3-[4-(ethylamino)pyrimidin-2-yl]oxypiperidine-1-carboxylate
InChI:
InChI=1S/C16H26N4O3/c1-5-17-13-8-9-18-14(19-13)22-12-7-6-10-20(11-12)15(21)23-16(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H,17,18,19)
InChI Key:
AJKXOFOYMMQYGU-UHFFFAOYSA-N
SMILES:
CCNc1ccnc(n1)OC1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.2g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.409g/mol
Monoisotopic Mass:
322.2g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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