2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C12H16F3N3O — CID 136741317

IUPAC2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCC1CCCCN1c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C12H16F3N3O/c1-2-8-5-3-4-6-18(8)11-16-9(12(13,14)15)7-10(19)17-11/h7-8H,2-6H2,1H3,(H,16,17,19)
InChIKeyXXEWBPFUXWVEGS-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.56
Rot. Bonds2

About 2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136741317) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136741317
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCC1CCCCN1c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C12H16F3N3O/c1-2-8-5-3-4-6-18(8)11-16-9(12(13,14)15)7-10(19)17-11/h7-8H,2-6H2,1H3,(H,16,17,19)
InChIKeyXXEWBPFUXWVEGS-UHFFFAOYSA-N
XLogP2.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-(piperidin-1-yl)pyrimidin-4-ol
CID 135406154
2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135644916
4-(difluoromethyl)-2-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137160189
2-Pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141392450
2-Methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141392451
2-(4-Aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 97619980
2-[(3S)-3-aminopiperidin-1-yl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 97619981
2-[(3R)-3-aminopiperidin-1-yl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 97619982
2-(3-Aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 102549309
2-Dipropylamino-6-trifluoromethyl-pyrimidin-4-ol
CID 135603402
2-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135603403
2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135762395

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136741317) is 2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is CCC1CCCCN1c1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is XXEWBPFUXWVEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-8-5-3-4-6-18(8)11-16-9(12(13,14)15)7-10(19)17-11/h7-8H,2-6H2,1H3,(H,16,17,19).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 275.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).