(3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol

C15H16F3N5O3 — CID 178007739

About (3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol

(3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol (PubChem CID 178007739) has the molecular formula C15H16F3N5O3 and a molecular weight of 371.32 g/mol. Its IUPAC name is (3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol.

Molecular Properties

• Compound Name: (3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
• PubChem CID: 178007739
• Molecular Formula: C15H16F3N5O3
• Molecular Weight: 371.32 g/mol
• Exact Mass: 371.12
• IUPAC Name: (3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
• SMILES: Cc1cnc([C@H]2OC[C@H](O)[C@H](O)[C@H]2Nc2cncc(C(F)(F)F)n2)nc1
• InChI: InChI=1S/C15H16F3N5O3/c1-7-2-20-14(21-3-7)13-11(12(25)8(24)6-26-13)23-10-5-19-4-9(22-10)15(16,17)18/h2-5,8,11-13,24-25H,6H2,1H3,(H,22,23)/t8-,11+,12-,13-/m0/s1
• InChIKey: IIUCLAPWUGITNZ-MHNYQROPSA-N
• XLogP: 0.87
• TPSA: 113.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.32
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?

The IUPAC name of (3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol (CID 178007739) is (3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol.

What is the SMILES notation for (3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?

The canonical SMILES for (3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol is Cc1cnc([C@H]2OC[C@H](O)[C@H](O)[C@H]2Nc2cncc(C(F)(F)F)n2)nc1.

What is the InChIKey of (3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?

The InChIKey is IIUCLAPWUGITNZ-MHNYQROPSA-N. The full InChI is InChI=1S/C15H16F3N5O3/c1-7-2-20-14(21-3-7)13-11(12(25)8(24)6-26-13)23-10-5-19-4-9(22-10)15(16,17)18/h2-5,8,11-13,24-25H,6H2,1H3,(H,22,23)/t8-,11+,12-,13-/m0/s1.

What are the key properties of (3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?

(3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol has a molecular weight of 371.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R,5R,6S)-6-(5-methylpyrimidin-2-yl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol is sourced from PubChem (CID 178007739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).