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1227958-31-7 | 7H-Pyrrolo[2,3-d]pyrimidine-7-carboxylic acid, 4-chloro-2-(4-morpholinyl)-, 1,1-dimethylethyl ester
CAS No: 1227958-31-7 Catalog No: AG000JHE MDL No:MFCD21648258
Product Description
Catalog Number:
AG000JHE
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-7-carboxylic acid, 4-chloro-2-(4-morpholinyl)-, 1,1-dimethylethyl ester
CAS Number:
1227958-31-7
Molecular Formula:
C15H19ClN4O3
Molecular Weight:
338.7894
MDL Number:
MFCD21648258
IUPAC Name:
tert-butyl 4-chloro-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidine-7-carboxylate
InChI:
InChI=1S/C15H19ClN4O3/c1-15(2,3)23-14(21)20-5-4-10-11(16)17-13(18-12(10)20)19-6-8-22-9-7-19/h4-5H,6-9H2,1-3H3
InChI Key:
WXGLJIHPWSSLLQ-UHFFFAOYSA-N
SMILES:
Clc1nc(nc2c1ccn2C(=O)OC(C)(C)C)N1CCOCC1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.115g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.792g/mol
Monoisotopic Mass:
338.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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