ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C21H22N2O6 — CID 55315825

About ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 55315825) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 55315825
• Molecular Formula: C21H22N2O6
• Molecular Weight: 398.42 g/mol
• Exact Mass: 398.15
• IUPAC Name: ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(COC(=O)COc2ccc3ccccc3c2)NC(=O)NC1C
• InChI: InChI=1S/C21H22N2O6/c1-3-27-20(25)19-13(2)22-21(26)23-17(19)11-29-18(24)12-28-16-9-8-14-6-4-5-7-15(14)10-16/h4-10,13H,3,11-12H2,1-2H3,(H2,22,23,26)
• InChIKey: BAMKGHMZQSJISY-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 102.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.42
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 55315825) is ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)COc2ccc3ccccc3c2)NC(=O)NC1C.

What is the InChIKey of ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is BAMKGHMZQSJISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-3-27-20(25)19-13(2)22-21(26)23-17(19)11-29-18(24)12-28-16-9-8-14-6-4-5-7-15(14)10-16/h4-10,13H,3,11-12H2,1-2H3,(H2,22,23,26).

What are the key properties of ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 398.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 55315825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).