3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C13H9Cl2F3N2O3 — CID 134115846

IUPAC3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(OCc2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C13H9Cl2F3N2O3/c1-19-9(13(16,17)18)5-10(21)20(12(19)22)23-6-7-3-2-4-8(14)11(7)15/h2-5H,6H2,1H3
InChIKeyHMJWYVBFHNEIFM-UHFFFAOYSA-N
MW369.13 g/mol
LogP2.50
Rot. Bonds3

About 3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 134115846) has the molecular formula C13H9Cl2F3N2O3 and a molecular weight of 369.13 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID134115846
Molecular FormulaC13H9Cl2F3N2O3
Molecular Weight369.13 g/mol
Exact Mass367.99
IUPAC Name3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(OCc2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C13H9Cl2F3N2O3/c1-19-9(13(16,17)18)5-10(21)20(12(19)22)23-6-7-3-2-4-8(14)11(7)15/h2-5H,6H2,1H3
InChIKeyHMJWYVBFHNEIFM-UHFFFAOYSA-N
XLogP2.50
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.13
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 57309617
3-[4-[(3,4-Dichlorophenyl)methoxy]cyclohepta-1,3,6-trien-1-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 141953267

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 134115846) is 3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(OCc2cccc(Cl)c2Cl)c1=O.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is HMJWYVBFHNEIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2O3/c1-19-9(13(16,17)18)5-10(21)20(12(19)22)23-6-7-3-2-4-8(14)11(7)15/h2-5H,6H2,1H3.
What are the key properties of 3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 369.13 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methoxy]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 134115846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).