ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C24H22N2O4 — CID 7506105

About ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 7506105) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 7506105
• Molecular Formula: C24H22N2O4
• Molecular Weight: 402.45 g/mol
• Exact Mass: 402.16
• IUPAC Name: ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(COc2cccc3ccccc23)NC(=O)N[C@H]1c1ccccc1
• InChI: InChI=1S/C24H22N2O4/c1-2-29-23(27)21-19(25-24(28)26-22(21)17-10-4-3-5-11-17)15-30-20-14-8-12-16-9-6-7-13-18(16)20/h3-14,22H,2,15H2,1H3,(H2,25,26,28)/t22-/m0/s1
• InChIKey: SEXRQOMYNUQFRI-QFIPXVFZSA-N
• XLogP: 4.09
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.45
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 7506105) is ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COc2cccc3ccccc23)NC(=O)N[C@H]1c1ccccc1.

What is the InChIKey of ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is SEXRQOMYNUQFRI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-2-29-23(27)21-19(25-24(28)26-22(21)17-10-4-3-5-11-17)15-30-20-14-8-12-16-9-6-7-13-18(16)20/h3-14,22H,2,15H2,1H3,(H2,25,26,28)/t22-/m0/s1.

What are the key properties of ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (4S)-6-(naphthalen-1-yloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 7506105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).