5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

C7H6BrF3N2O — CID 66310721

IUPAC5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CC(F)(F)F
InChIInChI=1S/C7H6BrF3N2O/c1-4-12-2-5(8)6(14)13(4)3-7(9,10)11/h2H,3H2,1H3
InChIKeyHCLRZCWGMWSOBE-UHFFFAOYSA-N
MW271.04 g/mol
LogP1.88
Rot. Bonds1

About 5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (PubChem CID 66310721) has the molecular formula C7H6BrF3N2O and a molecular weight of 271.04 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
PubChem CID66310721
Molecular FormulaC7H6BrF3N2O
Molecular Weight271.04 g/mol
Exact Mass269.96
IUPAC Name5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CC(F)(F)F
InChIInChI=1S/C7H6BrF3N2O/c1-4-12-2-5(8)6(14)13(4)3-7(9,10)11/h2H,3H2,1H3
InChIKeyHCLRZCWGMWSOBE-UHFFFAOYSA-N
XLogP1.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-(2,2,2-trifluoroethyl)-3,4-dihydropyrimidin-4-one
CID 66307880
5-Bromo-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 66308916
5-bromo-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one
CID 117872650
5-bromo-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-one
CID 170654509
5-bromo-3-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-one
CID 170654516
(5-Bromo-2-methyl-6-oxopyrimidin-1-yl)methyl-trifluoroboranuide
CID 66307791
5-Bromo-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 66307965
5-Bromo-3-(difluoromethyl)-2-methylpyrimidin-4-one
CID 66308585
5-Bromo-2-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one
CID 66310316
5-Bromo-3-(2,2-difluoroethyl)-2-methylpyrimidin-4-one
CID 66310714
5-Bromo-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 66310723
5-Bromo-3-(difluoromethyl)pyrimidin-4-one
CID 66310841

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (CID 66310721) is 5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is Cc1ncc(Br)c(=O)n1CC(F)(F)F.
What is the InChIKey of 5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The InChIKey is HCLRZCWGMWSOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O/c1-4-12-2-5(8)6(14)13(4)3-7(9,10)11/h2H,3H2,1H3.
What are the key properties of 5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one has a molecular weight of 271.04 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 66310721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).