2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

C13H19F3N4O — CID 58227982

IUPAC2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESCOC1CCCN(C(CN)c2cnc(C(F)(F)F)nc2)C1
InChIInChI=1S/C13H19F3N4O/c1-21-10-3-2-4-20(8-10)11(5-17)9-6-18-12(19-7-9)13(14,15)16/h6-7,10-11H,2-5,8,17H2,1H3
InChIKeyKXVCAVWQWQWHDG-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.61
Rot. Bonds4

About 2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 58227982) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID58227982
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESCOC1CCCN(C(CN)c2cnc(C(F)(F)F)nc2)C1
InChIInChI=1S/C13H19F3N4O/c1-21-10-3-2-4-20(8-10)11(5-17)9-6-18-12(19-7-9)13(14,15)16/h6-7,10-11H,2-5,8,17H2,1H3
InChIKeyKXVCAVWQWQWHDG-UHFFFAOYSA-N
XLogP1.61
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 50959308
5-ethyl-N-(2-morpholin-4-ylbutyl)pyrimidin-2-amine
CID 72919733
5-Ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine
CID 72936189
5-ethyl-2-methyl-N-[(3R*,4R*)-4-morpholin-4-yltetrahydrofuran-3-yl]pyrimidin-4-amine
CID 50948859
5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72873918
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
CID 46835573
beta-(4,4-Difluoro-1-piperidinyl)-2-(trifluoromethyl)-5-pyrimidineethanamine
CID 58227873
(2S)-2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 58227927
2-(4,4-Difluoropiperidin-1-yl)-2-(2-propan-2-ylpyrimidin-5-yl)ethanamine
CID 58227928
I(2)-(4-Fluoro-1-piperidinyl)-2-(trifluoromethyl)-5-pyrimidineethanamine
CID 58227980
2-(4,4-Difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine
CID 58227987
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine
CID 58228007

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 58227982) is 2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is COC1CCCN(C(CN)c2cnc(C(F)(F)F)nc2)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is KXVCAVWQWQWHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-21-10-3-2-4-20(8-10)11(5-17)9-6-18-12(19-7-9)13(14,15)16/h6-7,10-11H,2-5,8,17H2,1H3.
What are the key properties of 2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 304.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 58227982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).