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

C9H9F3N2O — CID 25169675

IUPAC6-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
SMILESC=CCn1c(C)cc(C(F)(F)F)nc1=O
InChIInChI=1S/C9H9F3N2O/c1-3-4-14-6(2)5-7(9(10,11)12)13-8(14)15/h3,5H,1,4H2,2H3
InChIKeyZMJRWLFOKDSOHY-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.76
Rot. Bonds2

About 6-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one

6-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one (PubChem CID 25169675) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 6-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
PubChem CID25169675
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name6-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
SMILESC=CCn1c(C)cc(C(F)(F)F)nc1=O
InChIInChI=1S/C9H9F3N2O/c1-3-4-14-6(2)5-7(9(10,11)12)13-8(14)15/h3,5H,1,4H2,2H3
InChIKeyZMJRWLFOKDSOHY-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-ethyl-4,6-dimethyl-2(1H)-pyrimidinone
CID 1711493
1,2-Dihydro-4,6-dimethyl-1-propyl-pyrimidin-2-one
CID 12795361
1,6-Dimethyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25169672
1-Prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25172760
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one
CID 43752778
4,6-Dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one
CID 62563288
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746310
2-[(4,6-Dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 113807717
1,3-Diethyl-4,6-dimethylpyrimidin-1-ium-2-one
CID 12097243
1,4-Diethyl-6-methylpyrimidin-2-one
CID 58719951
1,4,6-Trimethyl-3-prop-2-enylpyrimidin-1-ium-2-one
CID 59211357
1,4,6-Trimethyl-3-prop-2-enylpyrimidin-1-ium-2-one bromide
CID 67041362

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 6-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one (CID 25169675) is 6-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 6-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 6-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one is C=CCn1c(C)cc(C(F)(F)F)nc1=O.
What is the InChIKey of 6-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is ZMJRWLFOKDSOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-3-4-14-6(2)5-7(9(10,11)12)13-8(14)15/h3,5H,1,4H2,2H3.
What are the key properties of 6-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one?
6-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 6-methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 25169675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).