6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine

C17H20F3N5O — CID 133398689

IUPAC6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccnc1OCCNc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H20F3N5O/c18-17(19,20)13-5-4-6-22-16(13)26-10-7-21-14-11-15(24-12-23-14)25-8-2-1-3-9-25/h4-6,11-12H,1-3,7-10H2,(H,21,23,24)
InChIKeyHRKAEGVOFISAJZ-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.37
Rot. Bonds6

About 6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine

6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine (PubChem CID 133398689) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine
PubChem CID133398689
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccnc1OCCNc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H20F3N5O/c18-17(19,20)13-5-4-6-22-16(13)26-10-7-21-14-11-15(24-12-23-14)25-8-2-1-3-9-25/h4-6,11-12H,1-3,7-10H2,(H,21,23,24)
InChIKeyHRKAEGVOFISAJZ-UHFFFAOYSA-N
XLogP3.37
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133291658
6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine
CID 133398708
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112856705
6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 122282355
6-piperidin-1-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 133280938
6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 122282471
3,3,3-trifluoro-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122327666
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine
CID 133398666
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282279
5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133398642
4-N,4-N-dimethyl-2-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine
CID 133398596

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine (CID 133398689) is 6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine is FC(F)(F)c1cccnc1OCCNc1cc(N2CCCCC2)ncn1.
What is the InChIKey of 6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine?
The InChIKey is HRKAEGVOFISAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c18-17(19,20)13-5-4-6-22-16(13)26-10-7-21-14-11-15(24-12-23-14)25-8-2-1-3-9-25/h4-6,11-12H,1-3,7-10H2,(H,21,23,24).
What are the key properties of 6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine?
6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine has a molecular weight of 367.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133398689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).