(2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol

C11H15F3N4O3 — CID 167447930

IUPAC(2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
SMILESNC[C@H]1OC[C@H](Nc2nccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H15F3N4O3/c12-11(13,14)7-1-2-16-10(18-7)17-5-4-21-6(3-15)9(20)8(5)19/h1-2,5-6,8-9,19-20H,3-4,15H2,(H,16,17,18)/t5-,6+,8+,9-/m0/s1
InChIKeyKUXSNHIDIPRDBE-LWIVVEGESA-N
MW308.26 g/mol
LogP-0.64
Rot. Bonds3

About (2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol

(2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol (PubChem CID 167447930) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
PubChem CID167447930
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC Name(2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
SMILESNC[C@H]1OC[C@H](Nc2nccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H15F3N4O3/c12-11(13,14)7-1-2-16-10(18-7)17-5-4-21-6(3-15)9(20)8(5)19/h1-2,5-6,8-9,19-20H,3-4,15H2,(H,16,17,18)/t5-,6+,8+,9-/m0/s1
InChIKeyKUXSNHIDIPRDBE-LWIVVEGESA-N
XLogP-0.64
TPSA113.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol (CID 167447930) is (2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol is NC[C@H]1OC[C@H](Nc2nccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol?
The InChIKey is KUXSNHIDIPRDBE-LWIVVEGESA-N. The full InChI is InChI=1S/C11H15F3N4O3/c12-11(13,14)7-1-2-16-10(18-7)17-5-4-21-6(3-15)9(20)8(5)19/h1-2,5-6,8-9,19-20H,3-4,15H2,(H,16,17,18)/t5-,6+,8+,9-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol has a molecular weight of 308.26 g/mol, XLogP of -0.64, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(aminomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol is sourced from PubChem (CID 167447930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).