5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one

C13H8Cl2F3N3O — CID 161188029

IUPAC5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESC=Cn1c(-c2cccc(Cl)c2Cl)nc(C(F)(F)F)c(N)c1=O
InChIInChI=1S/C13H8Cl2F3N3O/c1-2-21-11(6-4-3-5-7(14)8(6)15)20-10(13(16,17)18)9(19)12(21)22/h2-5H,1,19H2
InChIKeyUTIPTUQMLSFUBX-UHFFFAOYSA-N
MW350.13 g/mol
LogP3.92
Rot. Bonds2

About 5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one

5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 161188029) has the molecular formula C13H8Cl2F3N3O and a molecular weight of 350.13 g/mol. Its IUPAC name is 5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID161188029
Molecular FormulaC13H8Cl2F3N3O
Molecular Weight350.13 g/mol
Exact Mass349.00
IUPAC Name5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESC=Cn1c(-c2cccc(Cl)c2Cl)nc(C(F)(F)F)c(N)c1=O
InChIInChI=1S/C13H8Cl2F3N3O/c1-2-21-11(6-4-3-5-7(14)8(6)15)20-10(13(16,17)18)9(19)12(21)22/h2-5H,1,19H2
InChIKeyUTIPTUQMLSFUBX-UHFFFAOYSA-N
XLogP3.92
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.13
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one (CID 161188029) is 5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one is C=Cn1c(-c2cccc(Cl)c2Cl)nc(C(F)(F)F)c(N)c1=O.
What is the InChIKey of 5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is UTIPTUQMLSFUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3N3O/c1-2-21-11(6-4-3-5-7(14)8(6)15)20-10(13(16,17)18)9(19)12(21)22/h2-5H,1,19H2.
What are the key properties of 5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one?
5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 350.13 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,3-dichlorophenyl)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 161188029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).