4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione

C10H10F3N5O2 — CID 114565375

IUPAC4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCNc1nc(N2CC(=O)NC(=O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5O2/c1-14-9-15-5(10(11,12)13)2-6(16-9)18-3-7(19)17-8(20)4-18/h2H,3-4H2,1H3,(H,14,15,16)(H,17,19,20)
InChIKeyVHYLPLNLGIIKDK-UHFFFAOYSA-N
MW289.22 g/mol
LogP-0.00
Rot. Bonds2

About 4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione

4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione (PubChem CID 114565375) has the molecular formula C10H10F3N5O2 and a molecular weight of 289.22 g/mol. Its IUPAC name is 4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione
PubChem CID114565375
Molecular FormulaC10H10F3N5O2
Molecular Weight289.22 g/mol
Exact Mass289.08
IUPAC Name4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCNc1nc(N2CC(=O)NC(=O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5O2/c1-14-9-15-5(10(11,12)13)2-6(16-9)18-3-7(19)17-8(20)4-18/h2H,3-4H2,1H3,(H,14,15,16)(H,17,19,20)
InChIKeyVHYLPLNLGIIKDK-UHFFFAOYSA-N
XLogP-0.00
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 102887824
4-(4-cyclopropylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564374
4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 114567345
4-(3-ethylpyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565756
4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565070
N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566111
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80856428
4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565345
3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 114565360
4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione
CID 66063784
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566088

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione (CID 114565375) is 4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione is CNc1nc(N2CC(=O)NC(=O)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione?
The InChIKey is VHYLPLNLGIIKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2/c1-14-9-15-5(10(11,12)13)2-6(16-9)18-3-7(19)17-8(20)4-18/h2H,3-4H2,1H3,(H,14,15,16)(H,17,19,20).
What are the key properties of 4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione?
4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione has a molecular weight of 289.22 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione is sourced from PubChem (CID 114565375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).