4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine

C34H30ClN7S2 — CID 87896161

About 4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine

4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 87896161) has the molecular formula C34H30ClN7S2 and a molecular weight of 636.25 g/mol. Its IUPAC name is 4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 87896161
• Molecular Formula: C34H30ClN7S2
• Molecular Weight: 636.25 g/mol
• Exact Mass: 635.17
• IUPAC Name: 4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
• SMILES: CCc1cc2c(Cl)nc(-c3ccncc3)nc2s1.CCc1cc2c(NCCc3ccccc3)nc(-c3ccncc3)nc2s1
• InChI: InChI=1S/C21H20N4S.C13H10ClN3S/c1-2-17-14-18-20(23-13-8-15-6-4-3-5-7-15)24-19(25-21(18)26-17)16-9-11-22-12-10-16;1-2-9-7-10-11(14)16-12(17-13(10)18-9)8-3-5-15-6-4-8/h3-7,9-12,14H,2,8,13H2,1H3,(H,23,24,25);3-7H,2H2,1H3
• InChIKey: PMWPBBMBSRBUCV-UHFFFAOYSA-N
• XLogP: 8.94
• TPSA: 89.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.25
LogP ≤ 5	8.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine (CID 87896161) is 4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(Cl)nc(-c3ccncc3)nc2s1.CCc1cc2c(NCCc3ccccc3)nc(-c3ccncc3)nc2s1.

What is the InChIKey of 4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?

The InChIKey is PMWPBBMBSRBUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S.C13H10ClN3S/c1-2-17-14-18-20(23-13-8-15-6-4-3-5-7-15)24-19(25-21(18)26-17)16-9-11-22-12-10-16;1-2-9-7-10-11(14)16-12(17-13(10)18-9)8-3-5-15-6-4-8/h3-7,9-12,14H,2,8,13H2,1H3,(H,23,24,25);3-7H,2H2,1H3.

What are the key properties of 4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?

4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 636.25 g/mol, XLogP of 8.94, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 87896161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).