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

C12H17F3N4O — CID 137009573

IUPAC2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCN(CC(F)(F)F)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H17F3N4O/c1-2-9-16-10(7-11(20)17-9)19-5-3-18(4-6-19)8-12(13,14)15/h7H,2-6,8H2,1H3,(H,16,17,20)
InChIKeyUCDLCLLUUKEWPR-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.02
Rot. Bonds3

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

2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137009573) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID137009573
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCN(CC(F)(F)F)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H17F3N4O/c1-2-9-16-10(7-11(20)17-9)19-5-3-18(4-6-19)8-12(13,14)15/h7H,2-6,8H2,1H3,(H,16,17,20)
InChIKeyUCDLCLLUUKEWPR-UHFFFAOYSA-N
XLogP1.02
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137097419
2-(1-piperazin-1-ylethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136130868
2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136171456
4-(difluoromethyl)-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one
CID 136171474
2-(2-piperazin-1-ylpropan-2-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136171488
4-(difluoromethyl)-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 136171489
4-(difluoromethyl)-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 136171494
2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136171498
4-piperazin-1-yl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136327232
2-[(4-acetyl-2,2-dimethylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136378700
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136728229

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 137009573) is 2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one is CCc1nc(N2CCN(CC(F)(F)F)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is UCDLCLLUUKEWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-2-9-16-10(7-11(20)17-9)19-5-3-18(4-6-19)8-12(13,14)15/h7H,2-6,8H2,1H3,(H,16,17,20).
What are the key properties of 2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 290.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).