5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C13H9Cl2F3N2O3 — CID 67722995

IUPAC5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCOc1cc(-c2c(C(F)(F)F)n(C)c(=O)[nH]c2=O)c(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F3N2O3/c1-20-10(13(16,17)18)9(11(21)19-12(20)22)5-3-8(23-2)7(15)4-6(5)14/h3-4H,1-2H3,(H,19,21,22)
InChIKeyYHOJRZVJBTUHCC-UHFFFAOYSA-N
MW369.13 g/mol
LogP3.07
Rot. Bonds2

About 5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 67722995) has the molecular formula C13H9Cl2F3N2O3 and a molecular weight of 369.13 g/mol. Its IUPAC name is 5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID67722995
Molecular FormulaC13H9Cl2F3N2O3
Molecular Weight369.13 g/mol
Exact Mass367.99
IUPAC Name5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCOc1cc(-c2c(C(F)(F)F)n(C)c(=O)[nH]c2=O)c(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F3N2O3/c1-20-10(13(16,17)18)9(11(21)19-12(20)22)5-3-8(23-2)7(15)4-6(5)14/h3-4H,1-2H3,(H,19,21,22)
InChIKeyYHOJRZVJBTUHCC-UHFFFAOYSA-N
XLogP3.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.13
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 67722995) is 5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is COc1cc(-c2c(C(F)(F)F)n(C)c(=O)[nH]c2=O)c(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is YHOJRZVJBTUHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2O3/c1-20-10(13(16,17)18)9(11(21)19-12(20)22)5-3-8(23-2)7(15)4-6(5)14/h3-4H,1-2H3,(H,19,21,22).
What are the key properties of 5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 369.13 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 67722995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).