CAS 5937-24-6|ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|3,4-Dihydro-5-(ethoxycarbonyl)-4-(4-fluorophenyl)-6-methylpyrimidin-2(1H)-one|Ethyl 4-(4-fluorophenyl...

General Information

Structure

Molecular Formula

C₁₄H₁₅FN₂O₃

Molecular Mass

278.2789032

Exact Mass

278.10667057

Charge

InChI

InChI=1S/C14H15FN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(15)7-5-9/h4-7,12H,3H2,1-2H3,(H2,16,17,19)

InChIKey

QGHWHUHDQUDRRI-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)F

Isomeric Smiles

N1C(c2ccc(cc2)F)C(=C(NC1=O)C)C(=O)OCC

Calculated Properties

JChem

Acid pKa

12.35076

H Acceptors

H Donor

LogD (pH = 5.5)

1.3830042

LogD (pH = 7.4)

1.383

Log P

1.3830043

Molar Refractivity

71.6503

Polarizability

26.934887

Polar Surface Area

67.43

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Synonyms

3,4-Dihydro-5-(ethoxycarbonyl)-4-(4-fluorophenyl)-6-methylpyrimidin-2(1H)-oneEthyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateEthyl 4-(4-fluorophenyl)-6-methyl-2-(1H,3H)-pyrimidone-5-carboxylateEthyl 4-(4-fluorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-5-pyrimidinecarboxylate4-(4-氟苯基)-1,2,3,4-四氢-6-甲基-2-氧代-5-嘧啶羧酸乙酯4-(4-氟苯基)-6-甲基-2-(1H,3H)-嘧啶酮-5-羧酸乙酯

IUPAC Traditional name

ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number