2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol

C13H19F3N4O — CID 2795939

IUPAC2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)11-5-6-18-12(20-11)19-8-7-17-9-3-1-2-4-10(9)21/h5-6,9-10,17,21H,1-4,7-8H2,(H,18,19,20)
InChIKeyVNNCPRMYHRGUQU-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.80
Rot. Bonds5

About 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol

2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol (PubChem CID 2795939) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol
PubChem CID2795939
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)11-5-6-18-12(20-11)19-8-7-17-9-3-1-2-4-10(9)21/h5-6,9-10,17,21H,1-4,7-8H2,(H,18,19,20)
InChIKeyVNNCPRMYHRGUQU-UHFFFAOYSA-N
XLogP1.80
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol?
The IUPAC name of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol (CID 2795939) is 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol is OC1CCCCC1NCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol?
The InChIKey is VNNCPRMYHRGUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c14-13(15,16)11-5-6-18-12(20-11)19-8-7-17-9-3-1-2-4-10(9)21/h5-6,9-10,17,21H,1-4,7-8H2,(H,18,19,20).
What are the key properties of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol?
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol has a molecular weight of 304.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 2795939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).