ethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C24H27N3O5 — CID 989181

IUPACethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C24H27N3O5/c1-5-31-23(29)20-16(4)25-24(30)27-22(20)17-9-11-18(12-10-17)32-13-19(28)26-21-14(2)7-6-8-15(21)3/h6-12,22H,5,13H2,1-4H3,(H,26,28)(H2,25,27,30)/t22-/m0/s1
InChIKeyRHMUGLJEFKTNFG-QFIPXVFZSA-N
MW437.50 g/mol
LogP3.51
Rot. Bonds7

About ethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 989181) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is ethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID989181
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Nameethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C24H27N3O5/c1-5-31-23(29)20-16(4)25-24(30)27-22(20)17-9-11-18(12-10-17)32-13-19(28)26-21-14(2)7-6-8-15(21)3/h6-12,22H,5,13H2,1-4H3,(H,26,28)(H2,25,27,30)/t22-/m0/s1
InChIKeyRHMUGLJEFKTNFG-QFIPXVFZSA-N
XLogP3.51
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (4R)-4-[4-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1102738
ethyl 4-[4-(2-hydroxyethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 23928066
ethyl 4-[4-(2-anilino-2-oxoethoxy)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846232
methyl (4R)-4-[4-(2-amino-2-oxoethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 697433
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 650029
methyl (4S)-4-[4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691661
ethyl 4-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845609
ethyl (4R)-4-[4-[(4-methoxycarbonylphenyl)methoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41056621
ethyl 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102414677
butyl (4S)-6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7073454
propan-2-yl (4R)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 746979
[(2R)-oxolan-2-yl]methyl (4R)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1267428

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 989181) is ethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of ethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is RHMUGLJEFKTNFG-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-5-31-23(29)20-16(4)25-24(30)27-22(20)17-9-11-18(12-10-17)32-13-19(28)26-21-14(2)7-6-8-15(21)3/h6-12,22H,5,13H2,1-4H3,(H,26,28)(H2,25,27,30)/t22-/m0/s1.
What are the key properties of ethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 989181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).