2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C12H17F3N4O — CID 136741375

IUPAC2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(NCCN2CCCCC2)[nH]1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)9-8-10(20)18-11(17-9)16-4-7-19-5-2-1-3-6-19/h8H,1-7H2,(H2,16,17,18,20)
InChIKeyQWHPQSWXYICXMX-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.69
Rot. Bonds4

About 2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136741375) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136741375
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(NCCN2CCCCC2)[nH]1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)9-8-10(20)18-11(17-9)16-4-7-19-5-2-1-3-6-19/h8H,1-7H2,(H2,16,17,18,20)
InChIKeyQWHPQSWXYICXMX-UHFFFAOYSA-N
XLogP1.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136741375) is 2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)(F)F)nc(NCCN2CCCCC2)[nH]1.
What is the InChIKey of 2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is QWHPQSWXYICXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)9-8-10(20)18-11(17-9)16-4-7-19-5-2-1-3-6-19/h8H,1-7H2,(H2,16,17,18,20).
What are the key properties of 2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 290.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).