Name: Name:7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid, 5-methyl-, methyl ester
Brand: Angene
SKU: AG001TQC
Rating: 90 (10 reviews)

7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid, 5-methyl-, methyl ester

CAS No.:

1630906-55-6

Catalog Number:

AG001TQC

Molecular Formula:

C9H9N3O2

Molecular Weight:

191.1867

Catalog Number:

AG001TQC

Chemical Name:

7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid, 5-methyl-, methyl ester

CAS Number:

1630906-55-6

Molecular Formula:

C9H9N3O2

Molecular Weight:

191.1867

IUPAC Name:

methyl 5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate

InChI:

InChI=1S/C9H9N3O2/c1-5-3-10-8-6(5)7(9(13)14-2)11-4-12-8/h3-4H,1-2H3,(H,10,11,12)

InChI Key:

OJKMQQAAAJJGLE-UHFFFAOYSA-N

SMILES:

COC(=O)c1ncnc2c1c(C)c[nH]2

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

191.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

191.19g/mol

Monoisotopic Mass:

191.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2