ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C19H28N4O6 — CID 55445545

About ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 55445545) has the molecular formula C19H28N4O6 and a molecular weight of 408.46 g/mol. Its IUPAC name is ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 55445545
• Molecular Formula: C19H28N4O6
• Molecular Weight: 408.46 g/mol
• Exact Mass: 408.20
• IUPAC Name: ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(CN(C)CC(=O)NCCCOC)NC(=O)NC1c1ccco1
• InChI: InChI=1S/C19H28N4O6/c1-4-28-18(25)16-13(11-23(2)12-15(24)20-8-6-9-27-3)21-19(26)22-17(16)14-7-5-10-29-14/h5,7,10,17H,4,6,8-9,11-12H2,1-3H3,(H,20,24)(H2,21,22,26)
• InChIKey: HXQXVWAWMKWGQT-UHFFFAOYSA-N
• XLogP: 0.54
• TPSA: 122.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.46
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 55445545) is ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN(C)CC(=O)NCCCOC)NC(=O)NC1c1ccco1.

What is the InChIKey of ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is HXQXVWAWMKWGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O6/c1-4-28-18(25)16-13(11-23(2)12-15(24)20-8-6-9-27-3)21-19(26)22-17(16)14-7-5-10-29-14/h5,7,10,17H,4,6,8-9,11-12H2,1-3H3,(H,20,24)(H2,21,22,26).

What are the key properties of ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 408.46 g/mol, XLogP of 0.54, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-(furan-2-yl)-6-[[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 55445545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).