5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one

C9H9F3N2O — CID 25172761

IUPAC5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
SMILESC=CCn1cc(C)c(C(F)(F)F)nc1=O
InChIInChI=1S/C9H9F3N2O/c1-3-4-14-5-6(2)7(9(10,11)12)13-8(14)15/h3,5H,1,4H2,2H3
InChIKeyWSBVOPMBCZRFGF-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.76
Rot. Bonds2

About 5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one

5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one (PubChem CID 25172761) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
PubChem CID25172761
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
SMILESC=CCn1cc(C)c(C(F)(F)F)nc1=O
InChIInChI=1S/C9H9F3N2O/c1-3-4-14-5-6(2)7(9(10,11)12)13-8(14)15/h3,5H,1,4H2,2H3
InChIKeyWSBVOPMBCZRFGF-UHFFFAOYSA-N
XLogP1.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methylpropyl)-4-(trifluoromethyl)pyrimidin-2-one
CID 67473381
1,5-Dimethyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25172758
1-Prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25172760
1-Ethyl-4,5-dimethylpyrimidin-2-one
CID 58719981
4-Methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one
CID 130485285

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one (CID 25172761) is 5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one is C=CCn1cc(C)c(C(F)(F)F)nc1=O.
What is the InChIKey of 5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is WSBVOPMBCZRFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-3-4-14-5-6(2)7(9(10,11)12)13-8(14)15/h3,5H,1,4H2,2H3.
What are the key properties of 5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one?
5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one has a molecular weight of 218.18 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 25172761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).