2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide

C43H47Cl6IN8O2S2 — CID 160514651

About 2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide

2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide (PubChem CID 160514651) has the molecular formula C43H47Cl6IN8O2S2 and a molecular weight of 1111.66 g/mol. Its IUPAC name is 2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide.

Molecular Properties

• Compound Name: 2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide
• PubChem CID: 160514651
• Molecular Formula: C43H47Cl6IN8O2S2
• Molecular Weight: 1111.66 g/mol
• Exact Mass: 1108.04
• IUPAC Name: 2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide
• SMILES: C.Cc1ccc(-c2ccnc(NC3CCN(C(=O)c4c(Cl)cccc4Cl)CC3)n2)s1.Cc1ccc(-c2ccnc(NC3CCNCC3)n2)s1.Cl.I.O=C(Cl)c1c(Cl)cccc1Cl
• InChI: InChI=1S/C21H20Cl2N4OS.C14H18N4S.C7H3Cl3O.CH4.ClH.HI/c1-13-5-6-18(29-13)17-7-10-24-21(26-17)25-14-8-11-27(12-9-14)20(28)19-15(22)3-2-4-16(19)23;1-10-2-3-13(19-10)12-6-9-16-14(18-12)17-11-4-7-15-8-5-11;8-4-2-1-3-5(9)6(4)7(10)11;;;/h2-7,10,14H,8-9,11-12H2,1H3,(H,24,25,26);2-3,6,9,11,15H,4-5,7-8H2,1H3,(H,16,17,18);1-3H;1H4;2*1H
• InChIKey: RQHOVJYLROMENN-UHFFFAOYSA-N
• XLogP: 13.26
• TPSA: 125.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1111.66
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide?

The IUPAC name of 2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide (CID 160514651) is 2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide.

What is the SMILES notation for 2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide?

The canonical SMILES for 2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide is C.Cc1ccc(-c2ccnc(NC3CCN(C(=O)c4c(Cl)cccc4Cl)CC3)n2)s1.Cc1ccc(-c2ccnc(NC3CCNCC3)n2)s1.Cl.I.O=C(Cl)c1c(Cl)cccc1Cl.

What is the InChIKey of 2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide?

The InChIKey is RQHOVJYLROMENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4OS.C14H18N4S.C7H3Cl3O.CH4.ClH.HI/c1-13-5-6-18(29-13)17-7-10-24-21(26-17)25-14-8-11-27(12-9-14)20(28)19-15(22)3-2-4-16(19)23;1-10-2-3-13(19-10)12-6-9-16-14(18-12)17-11-4-7-15-8-5-11;8-4-2-1-3-5(9)6(4)7(10)11;;;/h2-7,10,14H,8-9,11-12H2,1H3,(H,24,25,26);2-3,6,9,11,15H,4-5,7-8H2,1H3,(H,16,17,18);1-3H;1H4;2*1H.

What are the key properties of 2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide?

2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide has a molecular weight of 1111.66 g/mol, XLogP of 13.26, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide is sourced from PubChem (CID 160514651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).