1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione

C20H19F4N5O5 — CID 72710069

About 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione

1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione (PubChem CID 72710069) has the molecular formula C20H19F4N5O5 and a molecular weight of 485.39 g/mol. Its IUPAC name is 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione
• PubChem CID: 72710069
• Molecular Formula: C20H19F4N5O5
• Molecular Weight: 485.39 g/mol
• Exact Mass: 485.13
• IUPAC Name: 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione
• SMILES: CC1OC(n2cc(F)c(=O)n(Cc3cn(Cc4ccc(C(F)(F)F)cc4)nn3)c2=O)C(O)C1O
• InChI: InChI=1S/C20H19F4N5O5/c1-10-15(30)16(31)18(34-10)29-9-14(21)17(32)28(19(29)33)8-13-7-27(26-25-13)6-11-2-4-12(5-3-11)20(22,23)24/h2-5,7,9-10,15-16,18,30-31H,6,8H2,1H3
• InChIKey: DLVAYSDVJLSXJJ-UHFFFAOYSA-N
• XLogP: 0.50
• TPSA: 124.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.39
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione?

The IUPAC name of 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione (CID 72710069) is 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione is CC1OC(n2cc(F)c(=O)n(Cc3cn(Cc4ccc(C(F)(F)F)cc4)nn3)c2=O)C(O)C1O.

What is the InChIKey of 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione?

The InChIKey is DLVAYSDVJLSXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N5O5/c1-10-15(30)16(31)18(34-10)29-9-14(21)17(32)28(19(29)33)8-13-7-27(26-25-13)6-11-2-4-12(5-3-11)20(22,23)24/h2-5,7,9-10,15-16,18,30-31H,6,8H2,1H3.

What are the key properties of 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione?

1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 485.39 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 72710069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).