2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol

C13H19F3N4O — CID 106770234

IUPAC2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol
SMILESCNc1cc(N2CCCCC2CCO)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-17-10-8-11(19-12(18-10)13(14,15)16)20-6-3-2-4-9(20)5-7-21/h8-9,21H,2-7H2,1H3,(H,17,18,19)
InChIKeySFOGPURTKADKEP-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.28
Rot. Bonds4

About 2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol

2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol (PubChem CID 106770234) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol
PubChem CID106770234
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol
SMILESCNc1cc(N2CCCCC2CCO)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-17-10-8-11(19-12(18-10)13(14,15)16)20-6-3-2-4-9(20)5-7-21/h8-9,21H,2-7H2,1H3,(H,17,18,19)
InChIKeySFOGPURTKADKEP-UHFFFAOYSA-N
XLogP2.28
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol (CID 106770234) is 2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol is CNc1cc(N2CCCCC2CCO)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol?
The InChIKey is SFOGPURTKADKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-17-10-8-11(19-12(18-10)13(14,15)16)20-6-3-2-4-9(20)5-7-21/h8-9,21H,2-7H2,1H3,(H,17,18,19).
What are the key properties of 2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol?
2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol has a molecular weight of 304.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol is sourced from PubChem (CID 106770234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).