5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one

C8H8BrF3N2O — CID 68987166

IUPAC5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1nc(C(F)(F)F)c(CBr)c(=O)n1C
InChIInChI=1S/C8H8BrF3N2O/c1-4-13-6(8(10,11)12)5(3-9)7(15)14(4)2/h3H2,1-2H3
InChIKeyYPBCMZDLTSNAPH-UHFFFAOYSA-N
MW285.06 g/mol
LogP2.00
Rot. Bonds1

About 5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one

5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 68987166) has the molecular formula C8H8BrF3N2O and a molecular weight of 285.06 g/mol. Its IUPAC name is 5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID68987166
Molecular FormulaC8H8BrF3N2O
Molecular Weight285.06 g/mol
Exact Mass283.98
IUPAC Name5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1nc(C(F)(F)F)c(CBr)c(=O)n1C
InChIInChI=1S/C8H8BrF3N2O/c1-4-13-6(8(10,11)12)5(3-9)7(15)14(4)2/h3H2,1-2H3
InChIKeyYPBCMZDLTSNAPH-UHFFFAOYSA-N
XLogP2.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,5-Trimethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68986103
2-Ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68986585
Iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68987480
5-(Bromomethyl)-2-methoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68989411
5-(Bromomethyl)-2-ethyl-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68989943
5-(Bromomethyl)-2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68990283
5-(Bromomethyl)-3-ethyl-2-methoxy-6-(trifluoromethyl)pyrimidin-4-one
CID 68991650
3-(bromomethyl)-7,8-dihydro-2-(trifluoromethyl)pyrrolo[1,2-alpha]pyrimidin-4(6H)-one
CID 125509284
2,3,5,6-Tetramethylpyrimidin-4-one
CID 13149275
3-(3-Bromopropyl)-5,6-dimethylpyrimidin-4-one
CID 131021244

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one (CID 68987166) is 5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one is Cc1nc(C(F)(F)F)c(CBr)c(=O)n1C.
What is the InChIKey of 5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is YPBCMZDLTSNAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O/c1-4-13-6(8(10,11)12)5(3-9)7(15)14(4)2/h3H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one?
5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 285.06 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2,3-dimethyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 68987166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).