1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane

C19H16Cl2F6N4O2S2Si — CID 161421297

About 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane

1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane (PubChem CID 161421297) has the molecular formula C19H16Cl2F6N4O2S2Si and a molecular weight of 609.48 g/mol. Its IUPAC name is 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane.

Molecular Properties

• Compound Name: 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane
• PubChem CID: 161421297
• Molecular Formula: C19H16Cl2F6N4O2S2Si
• Molecular Weight: 609.48 g/mol
• Exact Mass: 607.98
• IUPAC Name: 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane
• SMILES: C[Si](C)(C)OC(c1cc2ncnc(Cl)c2s1)C(F)(F)F.OC(c1cc2ncnc(Cl)c2s1)C(F)(F)F
• InChI: InChI=1S/C11H12ClF3N2OSSi.C8H4ClF3N2OS/c1-20(2,3)18-9(11(13,14)15)7-4-6-8(19-7)10(12)17-5-16-6;9-7-5-3(13-2-14-7)1-4(16-5)6(15)8(10,11)12/h4-5,9H,1-3H3;1-2,6,15H
• InChIKey: VWTRPMXRGMQVAK-UHFFFAOYSA-N
• XLogP: 7.74
• TPSA: 81.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.48
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane?

The IUPAC name of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane (CID 161421297) is 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane.

What is the SMILES notation for 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane?

The canonical SMILES for 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane is C[Si](C)(C)OC(c1cc2ncnc(Cl)c2s1)C(F)(F)F.OC(c1cc2ncnc(Cl)c2s1)C(F)(F)F.

What is the InChIKey of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane?

The InChIKey is VWTRPMXRGMQVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2OSSi.C8H4ClF3N2OS/c1-20(2,3)18-9(11(13,14)15)7-4-6-8(19-7)10(12)17-5-16-6;9-7-5-3(13-2-14-7)1-4(16-5)6(15)8(10,11)12/h4-5,9H,1-3H3;1-2,6,15H.

What are the key properties of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane?

1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane has a molecular weight of 609.48 g/mol, XLogP of 7.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol;[1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethoxy]-trimethylsilane is sourced from PubChem (CID 161421297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).