N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide

C15H19F3N4O5 — CID 89345352

About N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide

N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 89345352) has the molecular formula C15H19F3N4O5 and a molecular weight of 392.33 g/mol. Its IUPAC name is N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide
• PubChem CID: 89345352
• Molecular Formula: C15H19F3N4O5
• Molecular Weight: 392.33 g/mol
• Exact Mass: 392.13
• IUPAC Name: N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide
• SMILES: C=CCOC1CC(n2cc(CNC(=O)C(F)(F)F)c(N)nc2=O)OC1CO
• InChI: InChI=1S/C15H19F3N4O5/c1-2-3-26-9-4-11(27-10(9)7-23)22-6-8(12(19)21-14(22)25)5-20-13(24)15(16,17)18/h2,6,9-11,23H,1,3-5,7H2,(H,20,24)(H2,19,21,25)
• InChIKey: CHMGOKNUFQYPIX-UHFFFAOYSA-N
• XLogP: -0.14
• TPSA: 128.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.33
LogP ≤ 5	-0.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide (CID 89345352) is N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide is C=CCOC1CC(n2cc(CNC(=O)C(F)(F)F)c(N)nc2=O)OC1CO.

What is the InChIKey of N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide?

The InChIKey is CHMGOKNUFQYPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O5/c1-2-3-26-9-4-11(27-10(9)7-23)22-6-8(12(19)21-14(22)25)5-20-13(24)15(16,17)18/h2,6,9-11,23H,1,3-5,7H2,(H,20,24)(H2,19,21,25).

What are the key properties of N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide?

N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 392.33 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-amino-1-[5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-2-oxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 89345352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).