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

C17H19F3N4O2 — CID 135911478

IUPAC4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C17H19F3N4O2/c1-26-11-13-10-15(25)22-16(21-13)24-7-5-23(6-8-24)14-4-2-3-12(9-14)17(18,19)20/h2-4,9-10H,5-8,11H2,1H3,(H,21,22,25)
InChIKeyYMURSAUOQBKACK-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.26
Rot. Bonds4

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

4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135911478) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID135911478
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C17H19F3N4O2/c1-26-11-13-10-15(25)22-16(21-13)24-7-5-23(6-8-24)14-4-2-3-12(9-14)17(18,19)20/h2-4,9-10H,5-8,11H2,1H3,(H,21,22,25)
InChIKeyYMURSAUOQBKACK-UHFFFAOYSA-N
XLogP2.26
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135602314
4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135602312
1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 46937223
N-(2-methylpropyl)-6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxamide
CID 24719423
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3867916
2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 58269761
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 61075067
(4-methoxypiperidin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;dihydrochloride
CID 119828329
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
methyl 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]triazole-4-carboxylate
CID 142709645
[3-(2-methoxyethoxy)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 55997430
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135569887

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one (CID 135911478) is 4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is YMURSAUOQBKACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-26-11-13-10-15(25)22-16(21-13)24-7-5-23(6-8-24)14-4-2-3-12(9-14)17(18,19)20/h2-4,9-10H,5-8,11H2,1H3,(H,21,22,25).
What are the key properties of 4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 368.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135911478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).