(2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol

C15H20F3N3O4 — CID 167448159

IUPAC(2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
SMILESCC(C)OC[C@H]1OCC(/C=N/c2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H20F3N3O4/c1-8(2)24-7-10-14(23)13(22)9(6-25-10)3-20-12-5-19-4-11(21-12)15(16,17)18/h3-5,8-10,13-14,22-23H,6-7H2,1-2H3/b20-3+/t9?,10-,13-,14+/m1/s1
InChIKeyPBDQMNJCIIIZMS-DOUBLKKKSA-N
MW363.34 g/mol
LogP1.36
Rot. Bonds5

About (2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol

(2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol (PubChem CID 167448159) has the molecular formula C15H20F3N3O4 and a molecular weight of 363.34 g/mol. Its IUPAC name is (2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
PubChem CID167448159
Molecular FormulaC15H20F3N3O4
Molecular Weight363.34 g/mol
Exact Mass363.14
IUPAC Name(2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
SMILESCC(C)OC[C@H]1OCC(/C=N/c2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H20F3N3O4/c1-8(2)24-7-10-14(23)13(22)9(6-25-10)3-20-12-5-19-4-11(21-12)15(16,17)18/h3-5,8-10,13-14,22-23H,6-7H2,1-2H3/b20-3+/t9?,10-,13-,14+/m1/s1
InChIKeyPBDQMNJCIIIZMS-DOUBLKKKSA-N
XLogP1.36
TPSA97.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4R)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167222175
(2R,3R,4R)-2-[(dimethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167222182
(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-N-[6-(trifluoromethyl)pyrazin-2-yl]oxane-3-carbonitrilium
CID 167448132
(2R,3R,4R)-2-[(propan-2-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 169581991
2-(Hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 171556621
2-(Aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171556765
(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol;6-(trifluoromethyl)pyrazin-2-amine
CID 171557365
2-Methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol
CID 171557584
3-(2-Methylpropyl)cyclohexane-1,2-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171558116
(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol;N-fluoro-6-(trifluoromethyl)pyrazin-2-amine
CID 171558232
2-Methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171558763
Ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 176953564

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol (CID 167448159) is (2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol is CC(C)OC[C@H]1OCC(/C=N/c2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol?
The InChIKey is PBDQMNJCIIIZMS-DOUBLKKKSA-N. The full InChI is InChI=1S/C15H20F3N3O4/c1-8(2)24-7-10-14(23)13(22)9(6-25-10)3-20-12-5-19-4-11(21-12)15(16,17)18/h3-5,8-10,13-14,22-23H,6-7H2,1-2H3/b20-3+/t9?,10-,13-,14+/m1/s1.
What are the key properties of (2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol?
(2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol has a molecular weight of 363.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol is sourced from PubChem (CID 167448159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).