Name: Name:2,5-dimethyl-1-(pyrimidin-2-yl)-1H-pyrrole-3-carboxylic acid
Brand: Angene
SKU: AG01B6QJ
Rating: 90 (10 reviews)

2,5-dimethyl-1-(pyrimidin-2-yl)-1H-pyrrole-3-carboxylic acid

CAS No.:

1016505-56-8

Catalog Number:

AG01B6QJ

Molecular Formula:

C11H11N3O2

Molecular Weight:

217.2239

Catalog Number:

AG01B6QJ

Chemical Name:

2,5-dimethyl-1-(pyrimidin-2-yl)-1H-pyrrole-3-carboxylic acid

CAS Number:

1016505-56-8

Molecular Formula:

C11H11N3O2

Molecular Weight:

217.2239

MDL Number:

MFCD09806066

IUPAC Name:

2,5-dimethyl-1-pyrimidin-2-ylpyrrole-3-carboxylic acid

InChI:

InChI=1S/C11H11N3O2/c1-7-6-9(10(15)16)8(2)14(7)11-12-4-3-5-13-11/h3-6H,1-2H3,(H,15,16)

InChI Key:

DLOYVGILSMWXGH-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(n(c1C)c1ncccn1)C

Complexity:

266

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.228g/mol

Monoisotopic Mass:

217.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3