CAS 952183-66-3|methyl 6-(2-methoxy-2-oxoethyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|methyl 4-(2-methoxy-2-oxoethyl)-6-(4-methoxyphenyl)-2-oxo-3,6-dihydro-1H-pyrimidi...

General Information

Structure

Molecular Formula

C₁₆H₁₈N₂O₆

Molecular Mass

334.32392

Exact Mass

334.11648631

Charge

InChI

InChI=1S/C16H18N2O6/c1-22-10-6-4-9(5-7-10)14-13(15(20)24-3)11(8-12(19)23-2)17-16(21)18-14/h4-7,14H,8H2,1-3H3,(H2,17,18,21)

InChIKey

RQRVJCAPVYWNDW-UHFFFAOYSA-N

Canonic Smiles

COC(=O)CC1=C(C(=O)OC)C(NC(=O)N1)c1ccc(cc1)OC

Isomeric Smiles

C1(=C(NC(=O)NC1c1ccc(cc1)OC)CC(=O)OC)C(=O)OC

Calculated Properties

JChem

Acid pKa

12.466656

H Acceptors

H Donor

LogD (pH = 5.5)

0.22990523

LogD (pH = 7.4)

0.22990198

Log P

0.22990528

Molar Refractivity

83.953

Polarizability

32.431118

Polar Surface Area

102.96

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

methyl 6-(2-methoxy-2-oxoethyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC Traditional name

methyl 4-(2-methoxy-2-oxoethyl)-6-(4-methoxyphenyl)-2-oxo-3,6-dihydro-1H-pyrimidine-5-carboxylate

Synonyms

Methyl 6-(2-methoxy-2-oxoethyl)-4-(4-methoxyphenyl )-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateMethyl 6-(2-methoxy-2-oxoethyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylatemethyl 6-(2-methoxy-2-oxoethyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

MDL Number

PubChem CID

Registration numbers