4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium

C17H20Cl4F3I4N6OS2V — CID 160601895

About 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium

4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium (PubChem CID 160601895) has the molecular formula C17H20Cl4F3I4N6OS2V and a molecular weight of 1145.89 g/mol. Its IUPAC name is 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium.

Molecular Properties

• Compound Name: 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium
• PubChem CID: 160601895
• Molecular Formula: C17H20Cl4F3I4N6OS2V
• Molecular Weight: 1145.89 g/mol
• Exact Mass: 1143.55
• IUPAC Name: 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium
• SMILES: CCCSc1nc(Cl)c(N)c(Cl)n1.CCCSc1nc(Cl)c(NC(=O)C(F)(F)F)c(Cl)n1.CI.I[V](I)I
• InChI: InChI=1S/C9H8Cl2F3N3OS.C7H9Cl2N3S.CH3I.3HI.V/c1-2-3-19-8-16-5(10)4(6(11)17-8)15-7(18)9(12,13)14;1-2-3-13-7-11-5(8)4(10)6(9)12-7;1-2;;;;/h2-3H2,1H3,(H,15,18);2-3,10H2,1H3;1H3;3*1H;/q;;;;;;+3/p-3
• InChIKey: REJOPIGAOVDXCQ-UHFFFAOYSA-K
• XLogP: 10.36
• TPSA: 106.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.89
LogP ≤ 5	10.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium?

The IUPAC name of 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium (CID 160601895) is 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium.

What is the SMILES notation for 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium?

The canonical SMILES for 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium is CCCSc1nc(Cl)c(N)c(Cl)n1.CCCSc1nc(Cl)c(NC(=O)C(F)(F)F)c(Cl)n1.CI.I[V](I)I.

What is the InChIKey of 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium?

The InChIKey is REJOPIGAOVDXCQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H8Cl2F3N3OS.C7H9Cl2N3S.CH3I.3HI.V/c1-2-3-19-8-16-5(10)4(6(11)17-8)15-7(18)9(12,13)14;1-2-3-13-7-11-5(8)4(10)6(9)12-7;1-2;;;;/h2-3H2,1H3,(H,15,18);2-3,10H2,1H3;1H3;3*1H;/q;;;;;;+3/p-3.

What are the key properties of 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium?

4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium has a molecular weight of 1145.89 g/mol, XLogP of 10.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide;iodomethane;triiodovanadium is sourced from PubChem (CID 160601895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).