3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one

C25H40N2O4 — CID 21020203

About 3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one

3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one (PubChem CID 21020203) has the molecular formula C25H40N2O4 and a molecular weight of 432.61 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one
• PubChem CID: 21020203
• Molecular Formula: C25H40N2O4
• Molecular Weight: 432.61 g/mol
• Exact Mass: 432.30
• IUPAC Name: 3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one
• SMILES: CCCCCCCCCCCCCCc1cc2cn(C3CCC(CO)O3)c(=O)nc2o1
• InChI: InChI=1S/C25H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-17-20-18-27(25(29)26-24(20)31-21)23-16-15-22(19-28)30-23/h17-18,22-23,28H,2-16,19H2,1H3
• InChIKey: LKAGNSXAKDKKSW-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 77.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.61
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one?

The IUPAC name of 3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one (CID 21020203) is 3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one?

The canonical SMILES for 3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one is CCCCCCCCCCCCCCc1cc2cn(C3CCC(CO)O3)c(=O)nc2o1.

What is the InChIKey of 3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one?

The InChIKey is LKAGNSXAKDKKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-17-20-18-27(25(29)26-24(20)31-21)23-16-15-22(19-28)30-23/h17-18,22-23,28H,2-16,19H2,1H3.

What are the key properties of 3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one?

3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one has a molecular weight of 432.61 g/mol, XLogP of 5.90, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 21020203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).