2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

C15H18F3N5O4 — CID 171557407

About 2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171557407) has the molecular formula C15H18F3N5O4 and a molecular weight of 389.33 g/mol. Its IUPAC name is 2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
• PubChem CID: 171557407
• Molecular Formula: C15H18F3N5O4
• Molecular Weight: 389.33 g/mol
• Exact Mass: 389.13
• IUPAC Name: 2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
• SMILES: Nc1cncc(C(F)(F)F)n1.OC1CCOC(COc2ncccn2)C1O
• InChI: InChI=1S/C10H14N2O4.C5H4F3N3/c13-7-2-5-15-8(9(7)14)6-16-10-11-3-1-4-12-10;6-5(7,8)3-1-10-2-4(9)11-3/h1,3-4,7-9,13-14H,2,5-6H2;1-2H,(H2,9,11)
• InChIKey: ASVLOYKVWBZDQW-UHFFFAOYSA-N
• XLogP: 0.44
• TPSA: 136.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.33
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?

The IUPAC name of 2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 171557407) is 2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

What is the SMILES notation for 2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?

The canonical SMILES for 2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.OC1CCOC(COc2ncccn2)C1O.

What is the InChIKey of 2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?

The InChIKey is ASVLOYKVWBZDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4.C5H4F3N3/c13-7-2-5-15-8(9(7)14)6-16-10-11-3-1-4-12-10;6-5(7,8)3-1-10-2-4(9)11-3/h1,3-4,7-9,13-14H,2,5-6H2;1-2H,(H2,9,11).

What are the key properties of 2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?

2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 389.33 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(pyrimidin-2-yloxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171557407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).