ethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C20H24N2O7 — CID 40918576

IUPACethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)NC(=O)N[C@@H]1C
InChIInChI=1S/C20H24N2O7/c1-5-27-19(25)17-11(2)21-20(26)22-16(17)10-28-18(24)13(4)29-15-8-6-14(7-9-15)12(3)23/h6-9,11,13H,5,10H2,1-4H3,(H2,21,22,26)/t11-,13+/m1/s1
InChIKeyJPRQIYFNXDCEDZ-YPMHNXCESA-N
MW404.42 g/mol
LogP1.72
Rot. Bonds8

About ethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 40918576) has the molecular formula C20H24N2O7 and a molecular weight of 404.42 g/mol. Its IUPAC name is ethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID40918576
Molecular FormulaC20H24N2O7
Molecular Weight404.42 g/mol
Exact Mass404.16
IUPAC Nameethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)NC(=O)N[C@@H]1C
InChIInChI=1S/C20H24N2O7/c1-5-27-19(25)17-11(2)21-20(26)22-16(17)10-28-18(24)13(4)29-15-8-6-14(7-9-15)12(3)23/h6-9,11,13H,5,10H2,1-4H3,(H2,21,22,26)/t11-,13+/m1/s1
InChIKeyJPRQIYFNXDCEDZ-YPMHNXCESA-N
XLogP1.72
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-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 (4S)-6-[(4-butoxybenzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7844842
ethyl (4R)-6-[[(2R)-2-(4-fluorophenoxy)propanoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41189470
ethyl (4R)-6-[(2,2-diphenylacetyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7750035
ethyl (4S)-6-[(2,2-diphenylacetyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7750034
ethyl (4R)-4-methyl-6-[(4-nitrobenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7859457
ethyl (4R)-4-methyl-2-oxo-6-[[4-(trifluoromethyl)benzoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7859914
ethyl (4S)-4-methyl-6-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 9453872
ethyl 6-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55312390
ethyl 6-[[3-ethoxy-4-(2-methylpropoxy)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 18274208
ethyl (4S)-6-[[4-(4-chlorophenyl)-4-oxobutanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7750914
ethyl (4S)-6-[(2-hydroxybenzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7890680
ethyl (4R)-6-[(2,6-difluorobenzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7725729

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 40918576) is ethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)NC(=O)N[C@@H]1C.
What is the InChIKey of ethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is JPRQIYFNXDCEDZ-YPMHNXCESA-N. The full InChI is InChI=1S/C20H24N2O7/c1-5-27-19(25)17-11(2)21-20(26)22-16(17)10-28-18(24)13(4)29-15-8-6-14(7-9-15)12(3)23/h6-9,11,13H,5,10H2,1-4H3,(H2,21,22,26)/t11-,13+/m1/s1.
What are the key properties of ethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 404.42 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-6-[[(2S)-2-(4-acetylphenoxy)propanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 40918576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).