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1289267-20-4 | 6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 2-cyclopropyl-5,7-dihydro-, 1,1-dimethylethyl ester
CAS No: 1289267-20-4 Catalog No: AG000YJT MDL No:
Product Description
Catalog Number:
AG000YJT
Chemical Name:
6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 2-cyclopropyl-5,7-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1289267-20-4
Molecular Formula:
C14H19N3O2
Molecular Weight:
261.3196
IUPAC Name:
tert-butyl 2-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C14H19N3O2/c1-14(2,3)19-13(18)17-7-10-6-15-12(9-4-5-9)16-11(10)8-17/h6,9H,4-5,7-8H2,1-3H3
InChI Key:
KLKHYMNNVCROMT-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)nc(nc2)C1CC1)OC(C)(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.148g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.325g/mol
Monoisotopic Mass:
261.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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