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1289585-36-9 | 1-Pyrrolidinecarboxylic acid, 3-[(6-chloro-4-pyrimidinyl)amino]-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1289585-36-9 Catalog No: AG000YQ2 MDL No:MFCD18837316
Product Description
Catalog Number:
AG000YQ2
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[(6-chloro-4-pyrimidinyl)amino]-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1289585-36-9
Molecular Formula:
C13H19ClN4O2
Molecular Weight:
298.7686
MDL Number:
MFCD18837316
IUPAC Name:
tert-butyl (3R)-3-[(6-chloropyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-5-4-9(7-18)17-11-6-10(14)15-8-16-11/h6,8-9H,4-5,7H2,1-3H3,(H,15,16,17)/t9-/m1/s1
InChI Key:
WIVWPUMWEWLZOG-SECBINFHSA-N
SMILES:
O=C(N1CC[C@H](C1)Nc1ncnc(c1)Cl)OC(C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
298.12g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.771g/mol
Monoisotopic Mass:
298.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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