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1439823-58-1 | 7H-Pyrrolo[2,3-d]pyrimidine-7-carboxylic acid, 4-chloro-5,6-dihydro-2-(4-morpholinyl)-, 1,1-dimethylethyl ester
CAS No: 1439823-58-1 Catalog No: AG001IP1 MDL No:MFCD22690821
Product Description
Catalog Number:
AG001IP1
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-7-carboxylic acid, 4-chloro-5,6-dihydro-2-(4-morpholinyl)-, 1,1-dimethylethyl ester
CAS Number:
1439823-58-1
Molecular Formula:
C15H21ClN4O3
Molecular Weight:
340.8052
MDL Number:
MFCD22690821
IUPAC Name:
tert-butyl 4-chloro-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylate
InChI:
InChI=1S/C15H21ClN4O3/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/h4-9H2,1-3H3
InChI Key:
KIRKODQVRWDSEC-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c1nc(nc2Cl)N1CCOCC1)OC(C)(C)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.13g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.808g/mol
Monoisotopic Mass:
340.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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