Name: Name:6-tert-butyl 2-methyl 5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,6-dicarboxylate
Brand: Angene
SKU: AG01AM47
Rating: 90 (10 reviews)

6-tert-butyl 2-methyl 5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,6-dicarboxylate

CAS No.:

365996-89-0

Catalog Number:

AG01AM47

Molecular Formula:

C13H17N3O4

Molecular Weight:

279.2918

Catalog Number:

AG01AM47

Chemical Name:

6-tert-butyl 2-methyl 5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,6-dicarboxylate

CAS Number:

365996-89-0

Molecular Formula:

C13H17N3O4

Molecular Weight:

279.2918

MDL Number:

MFCD24466068

IUPAC Name:

6-O-tert-butyl 2-O-methyl 5,7-dihydropyrrolo[3,4-d]pyrimidine-2,6-dicarboxylate

InChI:

InChI=1S/C13H17N3O4/c1-13(2,3)20-12(18)16-6-8-5-14-10(11(17)19-4)15-9(8)7-16/h5H,6-7H2,1-4H3

InChI Key:

SFGJZWXBHBVJPV-UHFFFAOYSA-N

SMILES:

COC(=O)c1ncc2c(n1)CN(C2)C(=O)OC(C)(C)C

Complexity:

394

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.296g/mol

Monoisotopic Mass:

279.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7