(2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol

C17H26F3N5O3 — CID 177015751

About (2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol

(2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol (PubChem CID 177015751) has the molecular formula C17H26F3N5O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is (2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol.

Molecular Properties

• Compound Name: (2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol
• PubChem CID: 177015751
• Molecular Formula: C17H26F3N5O3
• Molecular Weight: 405.42 g/mol
• Exact Mass: 405.20
• IUPAC Name: (2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol
• SMILES: Nc1nc(C(F)(F)F)cnc1O[C@@H]1CCO[C@H](CNC2CCC(N)CC2)[C@@H]1O
• InChI: InChI=1S/C17H26F3N5O3/c18-17(19,20)13-8-24-16(15(22)25-13)28-11-5-6-27-12(14(11)26)7-23-10-3-1-9(21)2-4-10/h8-12,14,23,26H,1-7,21H2,(H2,22,25)/t9?,10?,11-,12-,14-/m1/s1
• InChIKey: BISUWDUGVRLBNI-YDQLVSRJSA-N
• XLogP: 0.83
• TPSA: 128.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.42
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol?

The IUPAC name of (2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol (CID 177015751) is (2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol.

What is the SMILES notation for (2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol?

The canonical SMILES for (2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol is Nc1nc(C(F)(F)F)cnc1O[C@@H]1CCO[C@H](CNC2CCC(N)CC2)[C@@H]1O.

What is the InChIKey of (2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol?

The InChIKey is BISUWDUGVRLBNI-YDQLVSRJSA-N. The full InChI is InChI=1S/C17H26F3N5O3/c18-17(19,20)13-8-24-16(15(22)25-13)28-11-5-6-27-12(14(11)26)7-23-10-3-1-9(21)2-4-10/h8-12,14,23,26H,1-7,21H2,(H2,22,25)/t9?,10?,11-,12-,14-/m1/s1.

What are the key properties of (2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol?

(2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol has a molecular weight of 405.42 g/mol, XLogP of 0.83, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R)-2-[[(4-aminocyclohexyl)amino]methyl]-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxyoxan-3-ol is sourced from PubChem (CID 177015751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).