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

C10H13F3N4O2 — CID 171558056

IUPAC(3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Nc2nccc(C(F)(F)F)n2)CNC[C@@H]1O
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)7-1-2-15-9(17-7)16-5-3-14-4-6(18)8(5)19/h1-2,5-6,8,14,18-19H,3-4H2,(H,15,16,17)/t5-,6-,8+/m0/s1
InChIKeyGCEKEHIZAQNSJN-VMHSAVOQSA-N
MW278.23 g/mol
LogP-0.40
Rot. Bonds2

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

(3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol (PubChem CID 171558056) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is (3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol
PubChem CID171558056
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name(3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Nc2nccc(C(F)(F)F)n2)CNC[C@@H]1O
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)7-1-2-15-9(17-7)16-5-3-14-4-6(18)8(5)19/h1-2,5-6,8,14,18-19H,3-4H2,(H,15,16,17)/t5-,6-,8+/m0/s1
InChIKeyGCEKEHIZAQNSJN-VMHSAVOQSA-N
XLogP-0.40
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol with MolForge

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Related Compounds

2-(Piperidin-4-yloxy)-4-(trifluoromethyl)pyrimidine
CID 23133612
(2R)-2-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidin-4-yl]methylamino]-3-methylbutan-1-ol
CID 68312770
2-(2-Piperazin-1-ylethoxy)-4-(trifluoromethyl)pyrimidine
CID 172434778
1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
CID 2795837
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 165180153
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 165180234
(2R,3R,4R,5S)-5-[[4-(difluoromethyl)pyrimidin-2-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 168087400
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol
CID 171557748
(3S,4R,5S)-1-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol
CID 171557976
2-[2-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol
CID 2795939
2-{4-[4-(Trifluoromethyl)pyrimidin-2-yl]piperazino}ethan-1-ol
CID 2795979
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)piperidin-4-OL
CID 56861481

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol?
The IUPAC name of (3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol (CID 171558056) is (3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol.
What is the SMILES notation for (3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol?
The canonical SMILES for (3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol is O[C@@H]1[C@@H](Nc2nccc(C(F)(F)F)n2)CNC[C@@H]1O.
What is the InChIKey of (3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol?
The InChIKey is GCEKEHIZAQNSJN-VMHSAVOQSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c11-10(12,13)7-1-2-15-9(17-7)16-5-3-14-4-6(18)8(5)19/h1-2,5-6,8,14,18-19H,3-4H2,(H,15,16,17)/t5-,6-,8+/m0/s1.
What are the key properties of (3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol?
(3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol has a molecular weight of 278.23 g/mol, XLogP of -0.40, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol is sourced from PubChem (CID 171558056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).