2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine

C84H51Cl7N14S5 — CID 158778017

About 2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine

2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine (PubChem CID 158778017) has the molecular formula C84H51Cl7N14S5 and a molecular weight of 1664.94 g/mol. Its IUPAC name is 2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine.

Molecular Properties

• Compound Name: 2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine
• PubChem CID: 158778017
• Molecular Formula: C84H51Cl7N14S5
• Molecular Weight: 1664.94 g/mol
• Exact Mass: 1660.08
• IUPAC Name: 2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine
• SMILES: Clc1cc2sccc2cn1.Clc1ccc2ccsc2n1.Clc1cnc2ccsc2n1.Clc1nc(-c2ccc(-c3ccccc3)cc2)c2ccsc2n1.Clc1nc(-c2cccc(-c3ccccc3)c2)c2ccsc2n1.Clc1ncc2c(ccn2-c2cccc3ccccc23)n1.Clc1ncc2c(ccn2-c2ccccc2)n1
• InChI: InChI=1S/2C18H11ClN2S.C16H10ClN3.C12H8ClN3.2C7H4ClNS.C6H3ClN2S/c19-18-20-16(15-9-10-22-17(15)21-18)14-8-4-7-13(11-14)12-5-2-1-3-6-12;19-18-20-16(15-10-11-22-17(15)21-18)14-8-6-13(7-9-14)12-4-2-1-3-5-12;17-16-18-10-15-13(19-16)8-9-20(15)14-7-3-5-11-4-1-2-6-12(11)14;13-12-14-8-11-10(15-12)6-7-16(11)9-4-2-1-3-5-9;8-7-3-6-5(4-9-7)1-2-10-6;8-6-2-1-5-3-4-10-7(5)9-6;7-5-3-8-4-1-2-10-6(4)9-5/h2*1-11H;1-10H;1-8H;2*1-4H;1-3H
• InChIKey: IQSINDKULJHDQY-UHFFFAOYSA-N
• XLogP: 26.90
• TPSA: 164.54 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1664.94
LogP ≤ 5	26.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine?

The IUPAC name of 2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine (CID 158778017) is 2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine.

What is the SMILES notation for 2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine?

The canonical SMILES for 2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine is Clc1cc2sccc2cn1.Clc1ccc2ccsc2n1.Clc1cnc2ccsc2n1.Clc1nc(-c2ccc(-c3ccccc3)cc2)c2ccsc2n1.Clc1nc(-c2cccc(-c3ccccc3)c2)c2ccsc2n1.Clc1ncc2c(ccn2-c2cccc3ccccc23)n1.Clc1ncc2c(ccn2-c2ccccc2)n1.

What is the InChIKey of 2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine?

The InChIKey is IQSINDKULJHDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H11ClN2S.C16H10ClN3.C12H8ClN3.2C7H4ClNS.C6H3ClN2S/c19-18-20-16(15-9-10-22-17(15)21-18)14-8-4-7-13(11-14)12-5-2-1-3-6-12;19-18-20-16(15-10-11-22-17(15)21-18)14-8-6-13(7-9-14)12-4-2-1-3-5-12;17-16-18-10-15-13(19-16)8-9-20(15)14-7-3-5-11-4-1-2-6-12(11)14;13-12-14-8-11-10(15-12)6-7-16(11)9-4-2-1-3-5-9;8-7-3-6-5(4-9-7)1-2-10-6;8-6-2-1-5-3-4-10-7(5)9-6;7-5-3-8-4-1-2-10-6(4)9-5/h2*1-11H;1-10H;1-8H;2*1-4H;1-3H.

What are the key properties of 2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine?

2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine has a molecular weight of 1664.94 g/mol, XLogP of 26.90, 6 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)thieno[2,3-d]pyrimidine;2-chloro-5-phenylpyrrolo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine;6-chlorothieno[2,3-b]pyridine;6-chlorothieno[3,2-c]pyridine is sourced from PubChem (CID 158778017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).