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1160995-19-6 | 6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 5,7-dihydro-2-methyl-, 1,1-dimethylethyl ester
CAS No: 1160995-19-6 Catalog No: AG000BML MDL No:MFCD12400787
Product Description
Catalog Number:
AG000BML
Chemical Name:
6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 5,7-dihydro-2-methyl-, 1,1-dimethylethyl ester
CAS Number:
1160995-19-6
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD12400787
IUPAC Name:
tert-butyl 2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C12H17N3O2/c1-8-13-5-9-6-15(7-10(9)14-8)11(16)17-12(2,3)4/h5H,6-7H2,1-4H3
InChI Key:
YXNOCWXSPOTSLB-UHFFFAOYSA-N
SMILES:
Cc1ncc2c(n1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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