3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C16H15F3N2O4 — CID 56690602

IUPAC3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESC=CCOc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1OC
InChIInChI=1S/C16H15F3N2O4/c1-4-7-25-12-8-10(5-6-11(12)24-3)21-14(22)9-13(16(17,18)19)20(2)15(21)23/h4-6,8-9H,1,7H2,2-3H3
InChIKeyZOWGYXWDBDLURC-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.13
Rot. Bonds5

About 3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 56690602) has the molecular formula C16H15F3N2O4 and a molecular weight of 356.30 g/mol. Its IUPAC name is 3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID56690602
Molecular FormulaC16H15F3N2O4
Molecular Weight356.30 g/mol
Exact Mass356.10
IUPAC Name3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESC=CCOc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1OC
InChIInChI=1S/C16H15F3N2O4/c1-4-7-25-12-8-10(5-6-11(12)24-3)21-14(22)9-13(16(17,18)19)20(2)15(21)23/h4-6,8-9H,1,7H2,2-3H3
InChIKeyZOWGYXWDBDLURC-UHFFFAOYSA-N
XLogP2.13
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 56690602) is 3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is C=CCOc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1OC.
What is the InChIKey of 3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is ZOWGYXWDBDLURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4/c1-4-7-25-12-8-10(5-6-11(12)24-3)21-14(22)9-13(16(17,18)19)20(2)15(21)23/h4-6,8-9H,1,7H2,2-3H3.
What are the key properties of 3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 356.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-prop-2-enoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 56690602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).