4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine

C28H20Cl3N5OS2 — CID 157161209

About 4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine

4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 157161209) has the molecular formula C28H20Cl3N5OS2 and a molecular weight of 613.00 g/mol. Its IUPAC name is 4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine
• PubChem CID: 157161209
• Molecular Formula: C28H20Cl3N5OS2
• Molecular Weight: 613.00 g/mol
• Exact Mass: 611.02
• IUPAC Name: 4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine
• SMILES: Clc1nc(Cl)c2c(-c3ccccc3)csc2n1.Clc1nc(N2CCOCC2)c2c(-c3ccccc3)csc2n1
• InChI: InChI=1S/C16H14ClN3OS.C12H6Cl2N2S/c17-16-18-14(20-6-8-21-9-7-20)13-12(10-22-15(13)19-16)11-4-2-1-3-5-11;13-10-9-8(7-4-2-1-3-5-7)6-17-11(9)16-12(14)15-10/h1-5,10H,6-9H2;1-6H
• InChIKey: AMJXLKPYZUWCJN-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 64.03 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.00
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine?

The IUPAC name of 4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine (CID 157161209) is 4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine.

What is the SMILES notation for 4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine?

The canonical SMILES for 4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine is Clc1nc(Cl)c2c(-c3ccccc3)csc2n1.Clc1nc(N2CCOCC2)c2c(-c3ccccc3)csc2n1.

What is the InChIKey of 4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine?

The InChIKey is AMJXLKPYZUWCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS.C12H6Cl2N2S/c17-16-18-14(20-6-8-21-9-7-20)13-12(10-22-15(13)19-16)11-4-2-1-3-5-11;13-10-9-8(7-4-2-1-3-5-7)6-17-11(9)16-12(14)15-10/h1-5,10H,6-9H2;1-6H.

What are the key properties of 4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine?

4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 613.00 g/mol, XLogP of 8.51, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine;2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 157161209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).