Name: Name:ethyl 4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]pyrimidine-5-carboxylate
Brand: Angene
SKU: AG01B1NG
Rating: 90 (10 reviews)

ethyl 4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]pyrimidine-5-carboxylate

CAS No.:

1803586-41-5

Catalog Number:

AG01B1NG

Molecular Formula:

C16H13N3O4

Molecular Weight:

311.2921

Catalog Number:

AG01B1NG

Chemical Name:

ethyl 4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]pyrimidine-5-carboxylate

CAS Number:

1803586-41-5

Molecular Formula:

C16H13N3O4

Molecular Weight:

311.2921

MDL Number:

MFCD28012249

IUPAC Name:

ethyl 4-[(1,3-dioxoisoindol-2-yl)methyl]pyrimidine-5-carboxylate

InChI:

InChI=1S/C16H13N3O4/c1-2-23-16(22)12-7-17-9-18-13(12)8-19-14(20)10-5-3-4-6-11(10)15(19)21/h3-7,9H,2,8H2,1H3

InChI Key:

RCTNTJCAKLTXOI-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cncnc1CN1C(=O)c2c(C1=O)cccc2

Complexity:

472

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

311.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.297g/mol

Monoisotopic Mass:

311.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9