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1197850-17-1 | 1-Pyrrolidinecarboxylic acid, 2-(2-amino-4-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS No: 1197850-17-1 Catalog No: AG000PN1 MDL No:MFCD20278345
Product Description
Catalog Number:
AG000PN1
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(2-amino-4-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS Number:
1197850-17-1
Molecular Formula:
C13H20N4O2
Molecular Weight:
264.3235
MDL Number:
MFCD20278345
IUPAC Name:
tert-butyl 2-(2-aminopyrimidin-4-yl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-8-4-5-10(17)9-6-7-15-11(14)16-9/h6-7,10H,4-5,8H2,1-3H3,(H2,14,15,16)
InChI Key:
DZOGSVJRJNSRFX-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1c1ccnc(n1)N)OC(C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.159g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.329g/mol
Monoisotopic Mass:
264.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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