4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one

C11H12ClF3N4O — CID 106767804

IUPAC4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H12ClF3N4O/c1-10(2)9(20)16-3-4-19(10)7-5-6(12)17-8(18-7)11(13,14)15/h5H,3-4H2,1-2H3,(H,16,20)
InChIKeyDOMHZVSQBSAQOS-UHFFFAOYSA-N
MW308.69 g/mol
LogP1.86
Rot. Bonds1

About 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one

4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one (PubChem CID 106767804) has the molecular formula C11H12ClF3N4O and a molecular weight of 308.69 g/mol. Its IUPAC name is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one
PubChem CID106767804
Molecular FormulaC11H12ClF3N4O
Molecular Weight308.69 g/mol
Exact Mass308.07
IUPAC Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H12ClF3N4O/c1-10(2)9(20)16-3-4-19(10)7-5-6(12)17-8(18-7)11(13,14)15/h5H,3-4H2,1-2H3,(H,16,20)
InChIKeyDOMHZVSQBSAQOS-UHFFFAOYSA-N
XLogP1.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazine-2,6-dione
CID 106768016
4-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one
CID 102720736
4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 63607835
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114766284
4-(2-chloro-4-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 102824220
4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one
CID 80834891
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine
CID 106768492
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 106767915
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 106768014
3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one
CID 80834705
4-(4-tert-butylpiperazin-1-yl)-6-chloro-2-(trifluoromethyl)pyrimidine
CID 106767317
8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane
CID 106767758

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one (CID 106767804) is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one?
The InChIKey is DOMHZVSQBSAQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N4O/c1-10(2)9(20)16-3-4-19(10)7-5-6(12)17-8(18-7)11(13,14)15/h5H,3-4H2,1-2H3,(H,16,20).
What are the key properties of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one?
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one has a molecular weight of 308.69 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 106767804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).