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1417793-41-9 | 1-Piperidinecarboxylic acid, 4-[[6-(cyclopropylamino)-4-pyrimidinyl]oxy]-, 1,1-dimethylethyl ester
CAS No: 1417793-41-9 Catalog No: AG001H49 MDL No:MFCD22631698
Product Description
Catalog Number:
AG001H49
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[6-(cyclopropylamino)-4-pyrimidinyl]oxy]-, 1,1-dimethylethyl ester
CAS Number:
1417793-41-9
Molecular Formula:
C17H26N4O3
Molecular Weight:
334.4133
MDL Number:
MFCD22631698
IUPAC Name:
tert-butyl 4-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
InChI:
InChI=1S/C17H26N4O3/c1-17(2,3)24-16(22)21-8-6-13(7-9-21)23-15-10-14(18-11-19-15)20-12-4-5-12/h10-13H,4-9H2,1-3H3,(H,18,19,20)
InChI Key:
SCFXYRXGYHJQTA-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Oc1ncnc(c1)NC1CC1)OC(C)(C)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.2g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.42g/mol
Monoisotopic Mass:
334.2g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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