4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione

C10H8ClF3N4O2 — CID 106768014

IUPAC4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H8ClF3N4O2/c1-4-8(20)17-7(19)3-18(4)6-2-5(11)15-9(16-6)10(12,13)14/h2,4H,3H2,1H3,(H,17,19,20)
InChIKeyXZASFRZYNZTBBX-UHFFFAOYSA-N
MW308.65 g/mol
LogP1.00
Rot. Bonds1

About 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione

4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione (PubChem CID 106768014) has the molecular formula C10H8ClF3N4O2 and a molecular weight of 308.65 g/mol. Its IUPAC name is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
PubChem CID106768014
Molecular FormulaC10H8ClF3N4O2
Molecular Weight308.65 g/mol
Exact Mass308.03
IUPAC Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H8ClF3N4O2/c1-4-8(20)17-7(19)3-18(4)6-2-5(11)15-9(16-6)10(12,13)14/h2,4H,3H2,1H3,(H,17,19,20)
InChIKeyXZASFRZYNZTBBX-UHFFFAOYSA-N
XLogP1.00
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.65
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(6-chloropyrimidin-4-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
CID 134791352
2-(4,6-dichloro-pyrimidin-2-ylamino)-N-(2,2,2-trifluoro-ethyl)-propionamide
CID 86614829
2-[(2,6-dichloropyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87774717
(2S)-2-[(4,6-dichloropyrimidin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87869769
(2S)-2-[(2,6-dichloropyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87869858
1-[4-[6-Chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 132207131
1-[4-[[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 166070959
4-chloro-6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 176024218
3-[(2-Amino-6-chloropyrimidin-4-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56805314
1-(6-chloro-2-methylpyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 56805544
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71871012
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71996242

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione (CID 106768014) is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
The InChIKey is XZASFRZYNZTBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O2/c1-4-8(20)17-7(19)3-18(4)6-2-5(11)15-9(16-6)10(12,13)14/h2,4H,3H2,1H3,(H,17,19,20).
What are the key properties of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione has a molecular weight of 308.65 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 106768014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).