iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one

C9H12F3IN2O — CID 68987480

IUPACiodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCI.Cc1c(C(F)(F)F)nc(C)n(C)c1=O
InChIInChI=1S/C8H9F3N2O.CH3I/c1-4-6(8(9,10)11)12-5(2)13(3)7(4)14;1-2/h1-3H3;1H3
InChIKeyLQYOMPTVJNAQQZ-UHFFFAOYSA-N
MW348.11 g/mol
LogP2.47
Rot. Bonds

About iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one

iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 68987480) has the molecular formula C9H12F3IN2O and a molecular weight of 348.11 g/mol. Its IUPAC name is iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Nameiodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID68987480
Molecular FormulaC9H12F3IN2O
Molecular Weight348.11 g/mol
Exact Mass347.99
IUPAC Nameiodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCI.Cc1c(C(F)(F)F)nc(C)n(C)c1=O
InChIInChI=1S/C8H9F3N2O.CH3I/c1-4-6(8(9,10)11)12-5(2)13(3)7(4)14;1-2/h1-3H3;1H3
InChIKeyLQYOMPTVJNAQQZ-UHFFFAOYSA-N
XLogP2.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.11
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one (CID 68987480) is iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one is CI.Cc1c(C(F)(F)F)nc(C)n(C)c1=O.
What is the InChIKey of iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is LQYOMPTVJNAQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O.CH3I/c1-4-6(8(9,10)11)12-5(2)13(3)7(4)14;1-2/h1-3H3;1H3.
What are the key properties of iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one?
iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 348.11 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 68987480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).