4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one

C18H21F3N4O — CID 135602314

IUPAC4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H21F3N4O/c1-12(2)15-11-16(26)23-17(22-15)25-8-6-24(7-9-25)14-5-3-4-13(10-14)18(19,20)21/h3-5,10-12H,6-9H2,1-2H3,(H,22,23,26)
InChIKeyHNHTYFSWFYOOEW-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.24
Rot. Bonds3

About 4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one

4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135602314) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID135602314
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H21F3N4O/c1-12(2)15-11-16(26)23-17(22-15)25-8-6-24(7-9-25)14-5-3-4-13(10-14)18(19,20)21/h3-5,10-12H,6-9H2,1-2H3,(H,22,23,26)
InChIKeyHNHTYFSWFYOOEW-UHFFFAOYSA-N
XLogP3.24
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135911478
4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135602312
N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide
CID 24719423
1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 46937223
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 58269761
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18082732
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanenitrile
CID 60811985
4-bromo-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-one
CID 133302857
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
2-[2-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-enyl]sulfanyl-1H-pyrimidin-6-one
CID 91456404

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one (CID 135602314) is 4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is HNHTYFSWFYOOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-12(2)15-11-16(26)23-17(22-15)25-8-6-24(7-9-25)14-5-3-4-13(10-14)18(19,20)21/h3-5,10-12H,6-9H2,1-2H3,(H,22,23,26).
What are the key properties of 4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one?
4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 366.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135602314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).