trans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C11H14F3N3O — CID 52840172

IUPACtrans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-5-6-15-10(17-9)16-7-3-1-2-4-8(7)18/h5-8,18H,1-4H2,(H,15,16,17)/t7-,8-/m0/s1
InChIKeyUOJJESNRCOQSCN-YUMQZZPRSA-N
MW261.25 g/mol
LogP2.21
Rot. Bonds2

About trans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol

trans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 52840172) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID52840172
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Nametrans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-5-6-15-10(17-9)16-7-3-1-2-4-8(7)18/h5-8,18H,1-4H2,(H,15,16,17)/t7-,8-/m0/s1
InChIKeyUOJJESNRCOQSCN-YUMQZZPRSA-N
XLogP2.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 52840172) is trans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of trans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is UOJJESNRCOQSCN-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)9-5-6-15-10(17-9)16-7-3-1-2-4-8(7)18/h5-8,18H,1-4H2,(H,15,16,17)/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 261.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 52840172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).