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

C12H15F3N4O2 — CID 138023007

IUPAC4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one
SMILESCOCc1nccc(N2CCN(CC(F)(F)F)C(=O)C2)n1
InChIInChI=1S/C12H15F3N4O2/c1-21-7-9-16-3-2-10(17-9)18-4-5-19(11(20)6-18)8-12(13,14)15/h2-3H,4-8H2,1H3
InChIKeySYXWVAVNOBNWIN-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.83
Rot. Bonds4

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

4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one (PubChem CID 138023007) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one
PubChem CID138023007
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one
SMILESCOCc1nccc(N2CCN(CC(F)(F)F)C(=O)C2)n1
InChIInChI=1S/C12H15F3N4O2/c1-21-7-9-16-3-2-10(17-9)18-4-5-19(11(20)6-18)8-12(13,14)15/h2-3H,4-8H2,1H3
InChIKeySYXWVAVNOBNWIN-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-morpholinyl)-N-2-pyrimidinylacetamide
CID 787681
2,2,2-Trifluoro-1-(4-pyrimidin-2-ylpiperazinyl)ethan-1-one
CID 753091
Ethyl 2-[(4-pyrimidin-2-ylpiperazinyl)carbonylamino]acetate
CID 17174442
4-[[2-(Methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one
CID 56708810
4-[6-(4-Acetyl-1-piperazinyl)-4-pyrimidinyl]morpholine
CID 70702860
1-Morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 75369968
N,N-diethyl-2-[4-(2-pyrimidyl)piperazino]acetamide;oxalic acid
CID 651793
Ethyl 2-[4-(2-pyrimidinyl)piperazino]acetate
CID 15589464
Methyl {4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl}acetate
CID 50964777
2-[2-methoxyethyl(pyrimidin-2-yl)amino]-N,N-dimethylacetamide
CID 71981404
2-[2-methoxyethyl-(2-methylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 72109270
2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 75422017

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The IUPAC name of 4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one (CID 138023007) is 4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The canonical SMILES for 4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one is COCc1nccc(N2CCN(CC(F)(F)F)C(=O)C2)n1.
What is the InChIKey of 4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The InChIKey is SYXWVAVNOBNWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-21-7-9-16-3-2-10(17-9)18-4-5-19(11(20)6-18)8-12(13,14)15/h2-3H,4-8H2,1H3.
What are the key properties of 4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one?
4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one has a molecular weight of 304.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one is sourced from PubChem (CID 138023007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).