5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine

C13H13F3N4O — CID 133423721

IUPAC5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine
SMILESCc1cnc(NCCOc2ncccc2C(F)(F)F)nc1
InChIInChI=1S/C13H13F3N4O/c1-9-7-19-12(20-8-9)18-5-6-21-11-10(13(14,15)16)3-2-4-17-11/h2-4,7-8H,5-6H2,1H3,(H,18,19,20)
InChIKeyFNRAROSAVRUUNZ-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.69
Rot. Bonds5

About 5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine

5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine (PubChem CID 133423721) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine
PubChem CID133423721
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine
SMILESCc1cnc(NCCOc2ncccc2C(F)(F)F)nc1
InChIInChI=1S/C13H13F3N4O/c1-9-7-19-12(20-8-9)18-5-6-21-11-10(13(14,15)16)3-2-4-17-11/h2-4,7-8H,5-6H2,1H3,(H,18,19,20)
InChIKeyFNRAROSAVRUUNZ-UHFFFAOYSA-N
XLogP2.69
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N-dimethyl-2-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine
CID 133398596
6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine
CID 133398708
4-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]aniline
CID 133398696
2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile
CID 133398730
5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine
CID 133398666
5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133398642
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
CID 71756841
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine
CID 133398672
[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea
CID 75505421
3-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylcarbamoylamino]propanoic acid
CID 122007372
6-piperidin-1-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-amine
CID 133398689
4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]methyl]benzoic acid
CID 122032156

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine (CID 133423721) is 5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine is Cc1cnc(NCCOc2ncccc2C(F)(F)F)nc1.
What is the InChIKey of 5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine?
The InChIKey is FNRAROSAVRUUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-9-7-19-12(20-8-9)18-5-6-21-11-10(13(14,15)16)3-2-4-17-11/h2-4,7-8H,5-6H2,1H3,(H,18,19,20).
What are the key properties of 5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine?
5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine has a molecular weight of 298.27 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 133423721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).