methyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C18H24N2O6 — CID 41023264

IUPACmethyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCOCCN1C(=O)N[C@@H](c2cccc(OC)c2OC)C(C(=O)OC)=C1C
InChIInChI=1S/C18H24N2O6/c1-11-14(17(21)26-5)15(19-18(22)20(11)9-10-23-2)12-7-6-8-13(24-3)16(12)25-4/h6-8,15H,9-10H2,1-5H3,(H,19,22)/t15-/m0/s1
InChIKeyNSKLFBRIQUNIPD-HNNXBMFYSA-N
MW364.40 g/mol
LogP1.86
Rot. Bonds7

About methyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

methyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 41023264) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID41023264
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Namemethyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCOCCN1C(=O)N[C@@H](c2cccc(OC)c2OC)C(C(=O)OC)=C1C
InChIInChI=1S/C18H24N2O6/c1-11-14(17(21)26-5)15(19-18(22)20(11)9-10-23-2)12-7-6-8-13(24-3)16(12)25-4/h6-8,15H,9-10H2,1-5H3,(H,19,22)/t15-/m0/s1
InChIKeyNSKLFBRIQUNIPD-HNNXBMFYSA-N
XLogP1.86
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 41176862
methyl (6S)-6-(2,6-difluorophenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 41037130
methyl (6S)-6-(3-methoxy-2-phenylmethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1310544
methyl (6S)-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 30925314
6-(2,3-dimethoxyphenyl)-3,4-dimethyl-2-oxo-N-phenyl-1,6-dihydropyrimidine-5-carboxamide
CID 3101103
methyl (6R)-6-(2,3-dimethoxyphenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 8650144
2-methoxyethyl (6S)-6-(4-methoxycarbonylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 32954920
dimethyl 4-(2,3-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 4232319
methyl 6-(2,3-dichlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17477692
ethyl 6-(4-fluorophenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17398886
2-methoxyethyl (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7959844
4-[(6S)-6-(2,3-dichlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid
CID 8649709

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 41023264) is methyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is COCCN1C(=O)N[C@@H](c2cccc(OC)c2OC)C(C(=O)OC)=C1C.
What is the InChIKey of methyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is NSKLFBRIQUNIPD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-11-14(17(21)26-5)15(19-18(22)20(11)9-10-23-2)12-7-6-8-13(24-3)16(12)25-4/h6-8,15H,9-10H2,1-5H3,(H,19,22)/t15-/m0/s1.
What are the key properties of methyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
methyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-6-(2,3-dimethoxyphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 41023264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).