5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine

C19H24F3N3O — CID 146208216

IUPAC5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine
SMILESCc1cc(-c2ccc(OCC(C)CC(C)N)c(C(F)(F)F)c2)nc(C)n1
InChIInChI=1S/C19H24F3N3O/c1-11(7-12(2)23)10-26-18-6-5-15(9-16(18)19(20,21)22)17-8-13(3)24-14(4)25-17/h5-6,8-9,11-12H,7,10,23H2,1-4H3
InChIKeyAPQWALVGDFRMLK-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.53
Rot. Bonds6

About 5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine

5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine (PubChem CID 146208216) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is 5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine.

Molecular Properties

Compound Name5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine
PubChem CID146208216
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine
SMILESCc1cc(-c2ccc(OCC(C)CC(C)N)c(C(F)(F)F)c2)nc(C)n1
InChIInChI=1S/C19H24F3N3O/c1-11(7-12(2)23)10-26-18-6-5-15(9-16(18)19(20,21)22)17-8-13(3)24-14(4)25-17/h5-6,8-9,11-12H,7,10,23H2,1-4H3
InChIKeyAPQWALVGDFRMLK-UHFFFAOYSA-N
XLogP4.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
CID 135390135
4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 145286224
methyl N-[4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbamate
CID 146207931
2-(difluoromethyl)-4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyridine
CID 123296876
propan-2-yl N-[4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbamate
CID 145286346
4-[4-(4-amino-2-methylpentoxy)-3-(trifluoromethyl)phenyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 146260313
5-[2,3-difluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-4-methylpentan-2-amine
CID 146208149
(2S)-2,4-dimethyl-1-[4-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 137350676
(4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine
CID 118419976
4-[4-[(2S)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-3-fluoropyridine
CID 150539730
1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine
CID 77492759
5-chloro-4-[4-[(2S)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-fluoropyridine
CID 152541991

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine?
The IUPAC name of 5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine (CID 146208216) is 5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine.
What is the SMILES notation for 5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine?
The canonical SMILES for 5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine is Cc1cc(-c2ccc(OCC(C)CC(C)N)c(C(F)(F)F)c2)nc(C)n1.
What is the InChIKey of 5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine?
The InChIKey is APQWALVGDFRMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-11(7-12(2)23)10-26-18-6-5-15(9-16(18)19(20,21)22)17-8-13(3)24-14(4)25-17/h5-6,8-9,11-12H,7,10,23H2,1-4H3.
What are the key properties of 5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine?
5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine has a molecular weight of 367.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine is sourced from PubChem (CID 146208216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).