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

C18H24N2O4 — CID 41176862

IUPACmethyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCOCCN1C(=O)N[C@@H](c2ccc(C)cc2C)C(C(=O)OC)=C1C
InChIInChI=1S/C18H24N2O4/c1-11-6-7-14(12(2)10-11)16-15(17(21)24-5)13(3)20(8-9-23-4)18(22)19-16/h6-7,10,16H,8-9H2,1-5H3,(H,19,22)/t16-/m0/s1
InChIKeyUTZDCKDQBOLKBL-INIZCTEOSA-N
MW332.40 g/mol
LogP2.46
Rot. Bonds5

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

methyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 41176862) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID41176862
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namemethyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCOCCN1C(=O)N[C@@H](c2ccc(C)cc2C)C(C(=O)OC)=C1C
InChIInChI=1S/C18H24N2O4/c1-11-6-7-14(12(2)10-11)16-15(17(21)24-5)13(3)20(8-9-23-4)18(22)19-16/h6-7,10,16H,8-9H2,1-5H3,(H,19,22)/t16-/m0/s1
InChIKeyUTZDCKDQBOLKBL-INIZCTEOSA-N
XLogP2.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-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

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 41176862) is methyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is COCCN1C(=O)N[C@@H](c2ccc(C)cc2C)C(C(=O)OC)=C1C.
What is the InChIKey of methyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is UTZDCKDQBOLKBL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-6-7-14(12(2)10-11)16-15(17(21)24-5)13(3)20(8-9-23-4)18(22)19-16/h6-7,10,16H,8-9H2,1-5H3,(H,19,22)/t16-/m0/s1.
What are the key properties of methyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
methyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-6-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 41176862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).