Name: Name:7H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, 4-amino-
Brand: Angene
SKU: AG001L89
Rating: 90 (10 reviews)

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

CAS No.:

1488-48-8

Catalog Number:

AG001L89

Molecular Formula:

C7H6N4O2

Molecular Weight:

178.1481

Catalog Number:

AG001L89

Chemical Name:

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

CAS Number:

1488-48-8

Molecular Formula:

C7H6N4O2

Molecular Weight:

178.1481

IUPAC Name:

4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

InChI:

InChI=1S/C7H6N4O2/c8-5-4-3(7(12)13)1-9-6(4)11-2-10-5/h1-2H,(H,12,13)(H3,8,9,10,11)

InChI Key:

RZJHZSFLBFVOKR-UHFFFAOYSA-N

SMILES:

OC(=O)c1c[nH]c2c1c(N)ncn2

Complexity:

223

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.151g/mol

Monoisotopic Mass:

178.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

105A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2