Name: Name:Propanedioic acid, 2-[(2-pyrimidinylamino)methylene]-, 1,3-diethyl ester
Brand: Angene
SKU: AG002KO6
Rating: 90 (10 reviews)

Propanedioic acid, 2-[(2-pyrimidinylamino)methylene]-, 1,3-diethyl ester

CAS No.:

21025-62-7

Catalog Number:

AG002KO6

Molecular Formula:

C12H15N3O4

Molecular Weight:

265.2652

Catalog Number:

AG002KO6

Chemical Name:

Propanedioic acid, 2-[(2-pyrimidinylamino)methylene]-, 1,3-diethyl ester

CAS Number:

21025-62-7

Molecular Formula:

C12H15N3O4

Molecular Weight:

265.2652

MDL Number:

MFCD02333244

IUPAC Name:

diethyl 2-[(pyrimidin-2-ylamino)methylidene]propanedioate

InChI:

InChI=1S/C12H15N3O4/c1-3-18-10(16)9(11(17)19-4-2)8-15-12-13-6-5-7-14-12/h5-8H,3-4H2,1-2H3,(H,13,14,15)

InChI Key:

CKTKOLMBPODIBB-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(=CNc1ncccn1)C(=O)OCC

Complexity:

318

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.269g/mol

Monoisotopic Mass:

265.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9