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1417789-30-0 | 1-Pyrrolidinecarboxylic acid, 3-[[6-(cyclopropylamino)-4-pyrimidinyl]oxy]-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1417789-30-0 Catalog No: AG001H1S MDL No:MFCD22631758
Product Description
Catalog Number:
AG001H1S
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[[6-(cyclopropylamino)-4-pyrimidinyl]oxy]-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1417789-30-0
Molecular Formula:
C16H24N4O3
Molecular Weight:
320.3868
MDL Number:
MFCD22631758
IUPAC Name:
tert-butyl (3R)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C16H24N4O3/c1-16(2,3)23-15(21)20-7-6-12(9-20)22-14-8-13(17-10-18-14)19-11-4-5-11/h8,10-12H,4-7,9H2,1-3H3,(H,17,18,19)/t12-/m1/s1
InChI Key:
PHDFYBYSMOSPPI-GFCCVEGCSA-N
SMILES:
O=C(N1CC[C@H](C1)Oc1ncnc(c1)NC1CC1)OC(C)(C)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
320.185g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.393g/mol
Monoisotopic Mass:
320.185g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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