3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one

C17H19F3N4O2 — CID 45484904

IUPAC3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one
SMILESCn1c(COc2ccc(C(F)(F)F)cc2)nc(N2CCNCC2)cc1=O
InChIInChI=1S/C17H19F3N4O2/c1-23-15(11-26-13-4-2-12(3-5-13)17(18,19)20)22-14(10-16(23)25)24-8-6-21-7-9-24/h2-5,10,21H,6-9,11H2,1H3
InChIKeyWPOAOOKQYJNWHY-UHFFFAOYSA-N
MW368.36 g/mol
LogP1.79
Rot. Bonds4

About 3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one

3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one (PubChem CID 45484904) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one
PubChem CID45484904
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one
SMILESCn1c(COc2ccc(C(F)(F)F)cc2)nc(N2CCNCC2)cc1=O
InChIInChI=1S/C17H19F3N4O2/c1-23-15(11-26-13-4-2-12(3-5-13)17(18,19)20)22-14(10-16(23)25)24-8-6-21-7-9-24/h2-5,10,21H,6-9,11H2,1H3
InChIKeyWPOAOOKQYJNWHY-UHFFFAOYSA-N
XLogP1.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine
CID 58576730
2-[2-(3-chlorophenyl)ethyl]-3-methyl-6-piperazin-1-ylpyrimidin-4-one
CID 45484886
1,3-dimethyl-6-[4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 19012156
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one
CID 58964977
N-[2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-(2-piperazin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87952876
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine
CID 122341200
1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 10094031
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 2760779
1-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]imidazole-2-carboxylic acid
CID 117191700
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
1-propan-2-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]imidazol-4-amine
CID 117187724

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one (CID 45484904) is 3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one is Cn1c(COc2ccc(C(F)(F)F)cc2)nc(N2CCNCC2)cc1=O.
What is the InChIKey of 3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one?
The InChIKey is WPOAOOKQYJNWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-23-15(11-26-13-4-2-12(3-5-13)17(18,19)20)22-14(10-16(23)25)24-8-6-21-7-9-24/h2-5,10,21H,6-9,11H2,1H3.
What are the key properties of 3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one?
3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one has a molecular weight of 368.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-piperazin-1-yl-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrimidin-4-one is sourced from PubChem (CID 45484904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).