2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C15H23F3N4O — CID 136741338

IUPAC2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCC1CCCCN1CCCNc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C15H23F3N4O/c1-2-11-6-3-4-8-22(11)9-5-7-19-14-20-12(15(16,17)18)10-13(23)21-14/h10-11H,2-9H2,1H3,(H2,19,20,21,23)
InChIKeyMWBDONHTTUABAP-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.86
Rot. Bonds6

About 2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136741338) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136741338
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCC1CCCCN1CCCNc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C15H23F3N4O/c1-2-11-6-3-4-8-22(11)9-5-7-19-14-20-12(15(16,17)18)10-13(23)21-14/h10-11H,2-9H2,1H3,(H2,19,20,21,23)
InChIKeyMWBDONHTTUABAP-UHFFFAOYSA-N
XLogP2.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminopiperidin-1-yl)-6-methylpyrimidin-4(3H)-one dihydrochloride
CID 137017015
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-(dibutylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135603403
2-(hexylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350742
2-[3-(diethylamino)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350744
2-(cyclohexylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350751

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136741338) is 2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is CCC1CCCCN1CCCNc1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is MWBDONHTTUABAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-2-11-6-3-4-8-22(11)9-5-7-19-14-20-12(15(16,17)18)10-13(23)21-14/h10-11H,2-9H2,1H3,(H2,19,20,21,23).
What are the key properties of 2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 332.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).