Name: Name:7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-7-(phenylsulfonyl)-
Brand: Angene
SKU: AG001TQB
Rating: 90 (10 reviews)

7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-7-(phenylsulfonyl)-

CAS No.:

1630906-56-7

Catalog Number:

AG001TQB

Molecular Formula:

C13H12N4O2S

Molecular Weight:

288.3250

Catalog Number:

AG001TQB

Chemical Name:

7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-7-(phenylsulfonyl)-

CAS Number:

1630906-56-7

Molecular Formula:

C13H12N4O2S

Molecular Weight:

288.3250

MDL Number:

MFCD28166322

IUPAC Name:

7-(benzenesulfonyl)-N-methylpyrrolo[2,3-d]pyrimidin-4-amine

InChI:

InChI=1S/C13H12N4O2S/c1-14-12-11-7-8-17(13(11)16-9-15-12)20(18,19)10-5-3-2-4-6-10/h2-9H,1H3,(H,14,15,16)

InChI Key:

LEVSJQBXAGKDIP-UHFFFAOYSA-N

SMILES:

CNc1ncnc2c1ccn2S(=O)(=O)c1ccccc1

Complexity:

430

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.325g/mol

Monoisotopic Mass:

288.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2