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1330754-01-2 | 6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 2-(1,1-dimethylethyl)-5,7-dihydro-, 1,1-dimethylethyl ester
CAS No: 1330754-01-2 Catalog No: AG00147F MDL No:
Product Description
Catalog Number:
AG00147F
Chemical Name:
6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 2-(1,1-dimethylethyl)-5,7-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1330754-01-2
Molecular Formula:
C15H23N3O2
Molecular Weight:
277.3620
IUPAC Name:
tert-butyl 2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C15H23N3O2/c1-14(2,3)12-16-7-10-8-18(9-11(10)17-12)13(19)20-15(4,5)6/h7H,8-9H2,1-6H3
InChI Key:
BKRUKVNOWPWHQO-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)cnc(n2)C(C)(C)C)OC(C)(C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.179g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.368g/mol
Monoisotopic Mass:
277.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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