3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C13H9Cl2F3N2O3 — CID 15390075

IUPAC3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(Cc2ccc(O)c(Cl)c2Cl)c1=O
InChIInChI=1S/C13H9Cl2F3N2O3/c1-19-8(13(16,17)18)4-9(22)20(12(19)23)5-6-2-3-7(21)11(15)10(6)14/h2-4,21H,5H2,1H3
InChIKeyPSTIPBHDFGJRER-UHFFFAOYSA-N
MW369.13 g/mol
LogP2.63
Rot. Bonds2

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

3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 15390075) has the molecular formula C13H9Cl2F3N2O3 and a molecular weight of 369.13 g/mol. Its IUPAC name is 3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID15390075
Molecular FormulaC13H9Cl2F3N2O3
Molecular Weight369.13 g/mol
Exact Mass367.99
IUPAC Name3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(Cc2ccc(O)c(Cl)c2Cl)c1=O
InChIInChI=1S/C13H9Cl2F3N2O3/c1-19-8(13(16,17)18)4-9(22)20(12(19)23)5-6-2-3-7(21)11(15)10(6)14/h2-4,21H,5H2,1H3
InChIKeyPSTIPBHDFGJRER-UHFFFAOYSA-N
XLogP2.63
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.13
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 15390075) is 3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(Cc2ccc(O)c(Cl)c2Cl)c1=O.
What is the InChIKey of 3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is PSTIPBHDFGJRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2O3/c1-19-8(13(16,17)18)4-9(22)20(12(19)23)5-6-2-3-7(21)11(15)10(6)14/h2-4,21H,5H2,1H3.
What are the key properties of 3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 369.13 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichloro-4-hydroxyphenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 15390075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).