(2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

C20H23F3N4O — CID 95486437

IUPAC(2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESCc1nc(N)ncc1C(=O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H23F3N4O/c1-13-17(11-25-19(24)26-13)18(28)27-9-3-5-15(12-27)8-7-14-4-2-6-16(10-14)20(21,22)23/h2,4,6,10-11,15H,3,5,7-9,12H2,1H3,(H2,24,25,26)/t15-/m0/s1
InChIKeyOWUQGFRDRKEOTD-HNNXBMFYSA-N
MW392.43 g/mol
LogP3.87
Rot. Bonds4

About (2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

(2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (PubChem CID 95486437) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is (2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
PubChem CID95486437
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name(2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESCc1nc(N)ncc1C(=O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H23F3N4O/c1-13-17(11-25-19(24)26-13)18(28)27-9-3-5-15(12-27)8-7-14-4-2-6-16(10-14)20(21,22)23/h2,4,6,10-11,15H,3,5,7-9,12H2,1H3,(H2,24,25,26)/t15-/m0/s1
InChIKeyOWUQGFRDRKEOTD-HNNXBMFYSA-N
XLogP3.87
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxyphenyl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95553574
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95554391
(2,5-dimethyl-1,3-oxazol-4-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95476833
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56874697
2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95545428
2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 95550375
pyridin-2-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56863219
pyrazolo[1,5-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95549035
imidazo[1,2-a]pyridin-3-yl-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95553406
imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95553405
(2,4-dimethylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 56864739
5-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95550119

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (CID 95486437) is (2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is Cc1nc(N)ncc1C(=O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is OWUQGFRDRKEOTD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-13-17(11-25-19(24)26-13)18(28)27-9-3-5-15(12-27)8-7-14-4-2-6-16(10-14)20(21,22)23/h2,4,6,10-11,15H,3,5,7-9,12H2,1H3,(H2,24,25,26)/t15-/m0/s1.
What are the key properties of (2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
(2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 392.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95486437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).