1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride

C19H22ClF3N4O2 — CID 118378306

IUPAC1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride
SMILESCc1nc(C)c(C(=O)COc2cccc(C(F)(F)F)n2)c(C2CCNCC2)n1.Cl
InChIInChI=1S/C19H21F3N4O2.ClH/c1-11-17(18(25-12(2)24-11)13-6-8-23-9-7-13)14(27)10-28-16-5-3-4-15(26-16)19(20,21)22;/h3-5,13,23H,6-10H2,1-2H3;1H
InChIKeySFWVERSBQPIRNR-UHFFFAOYSA-N
MW430.86 g/mol
LogP3.66
Rot. Bonds5

About 1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride

1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride (PubChem CID 118378306) has the molecular formula C19H22ClF3N4O2 and a molecular weight of 430.86 g/mol. Its IUPAC name is 1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride
PubChem CID118378306
Molecular FormulaC19H22ClF3N4O2
Molecular Weight430.86 g/mol
Exact Mass430.14
IUPAC Name1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride
SMILESCc1nc(C)c(C(=O)COc2cccc(C(F)(F)F)n2)c(C2CCNCC2)n1.Cl
InChIInChI=1S/C19H21F3N4O2.ClH/c1-11-17(18(25-12(2)24-11)13-6-8-23-9-7-13)14(27)10-28-16-5-3-4-15(26-16)19(20,21)22;/h3-5,13,23H,6-10H2,1-2H3;1H
InChIKeySFWVERSBQPIRNR-UHFFFAOYSA-N
XLogP3.66
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.86
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride?
The IUPAC name of 1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride (CID 118378306) is 1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride.
What is the SMILES notation for 1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride?
The canonical SMILES for 1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride is Cc1nc(C)c(C(=O)COc2cccc(C(F)(F)F)n2)c(C2CCNCC2)n1.Cl.
What is the InChIKey of 1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride?
The InChIKey is SFWVERSBQPIRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2.ClH/c1-11-17(18(25-12(2)24-11)13-6-8-23-9-7-13)14(27)10-28-16-5-3-4-15(26-16)19(20,21)22;/h3-5,13,23H,6-10H2,1-2H3;1H.
What are the key properties of 1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride?
1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride has a molecular weight of 430.86 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride is sourced from PubChem (CID 118378306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).