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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Related Compounds

1-[3-[2-(Dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one
CID 10150393
1-(3-Fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one
CID 10237852
3-(3-Fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione
CID 10238108
1-(3,5-Difluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one
CID 44404619
1-Methyl-3-[3-(oxetan-3-ylmethoxy)-4-phenoxyphenyl]-1,3,5-triazinane-2,4,6-trione
CID 139434198
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 3239458
3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione
CID 3239923
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole-2,5-dione
CID 709356
1-(3-Fluorophenyl)-3-[3-(2-hydroxyethoxy)-4-methoxyphenyl]imidazolidin-2-one
CID 44404608
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 4107920
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide
CID 2976109
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 118986710

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).