4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one

C10H13F3N4O — CID 136957809

IUPAC4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCN(CC(F)(F)F)CC2)nc[nH]1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)6-16-1-3-17(4-2-16)8-5-9(18)15-7-14-8/h5,7H,1-4,6H2,(H,14,15,18)
InChIKeyPHTSAOZUXBNKPV-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.45
Rot. Bonds2

About 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one

4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136957809) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136957809
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCN(CC(F)(F)F)CC2)nc[nH]1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)6-16-1-3-17(4-2-16)8-5-9(18)15-7-14-8/h5,7H,1-4,6H2,(H,14,15,18)
InChIKeyPHTSAOZUXBNKPV-UHFFFAOYSA-N
XLogP0.45
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(4-methyl-1-piperazinyl)-4(3h)-pyrimidinone
CID 135897837
6-piperazin-1-yl-3H-pyrimidin-4-one
CID 136102540
2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135644916
2-Piperazin-1-yl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 136103243
3-(2,2-Difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one
CID 178099242
3-Methyl-2-piperazin-1-yl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 97619979
2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135762395
4-(difluoromethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 136103235
4-piperazin-1-yl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136327232
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136728229
4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728230
4-[2-aminoethyl(2,2-difluoroethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136728231

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136957809) is 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCN(CC(F)(F)F)CC2)nc[nH]1.
What is the InChIKey of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is PHTSAOZUXBNKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)6-16-1-3-17(4-2-16)8-5-9(18)15-7-14-8/h5,7H,1-4,6H2,(H,14,15,18).
What are the key properties of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 262.23 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).