3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+)

C13H9ClF3N2O2W+ — CID 20657567

About 3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+)

3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+) (PubChem CID 20657567) has the molecular formula C13H9ClF3N2O2W+ and a molecular weight of 501.51 g/mol. Its IUPAC name is 3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+).

Molecular Properties

• Compound Name: 3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+)
• PubChem CID: 20657567
• Molecular Formula: C13H9ClF3N2O2W+
• Molecular Weight: 501.51 g/mol
• Exact Mass: 500.98
• IUPAC Name: 3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+)
• SMILES: Cc1cc(Cl)[c-]cc1-n1c(=O)cc(C(F)(F)F)n(C)c1=O.[W+2]
• InChI: InChI=1S/C13H9ClF3N2O2.W/c1-7-5-8(14)3-4-9(7)19-11(20)6-10(13(15,16)17)18(2)12(19)21;/h4-6H,1-2H3;/q-1;+2
• InChIKey: PVHKCPWZIZVFEM-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 44.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.51
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+)?

The IUPAC name of 3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+) (CID 20657567) is 3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+).

What is the SMILES notation for 3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+)?

The canonical SMILES for 3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+) is Cc1cc(Cl)[c-]cc1-n1c(=O)cc(C(F)(F)F)n(C)c1=O.[W+2].

What is the InChIKey of 3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+)?

The InChIKey is PVHKCPWZIZVFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N2O2.W/c1-7-5-8(14)3-4-9(7)19-11(20)6-10(13(15,16)17)18(2)12(19)21;/h4-6H,1-2H3;/q-1;+2.

What are the key properties of 3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+)?

3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+) has a molecular weight of 501.51 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+) is sourced from PubChem (CID 20657567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).