6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine

C18H23N5S — CID 163352974

About 6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine

6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 163352974) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is 6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine
• PubChem CID: 163352974
• Molecular Formula: C18H23N5S
• Molecular Weight: 341.48 g/mol
• Exact Mass: 341.17
• IUPAC Name: 6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine
• SMILES: CCc1cc2c(N3CC(Cn4ccnc4C(C)C)C3)ncnc2s1
• InChI: InChI=1S/C18H23N5S/c1-4-14-7-15-17(20-11-21-18(15)24-14)23-9-13(10-23)8-22-6-5-19-16(22)12(2)3/h5-7,11-13H,4,8-10H2,1-3H3
• InChIKey: KZUBRLKAWCCIKI-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 46.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.48
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine?

The IUPAC name of 6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine (CID 163352974) is 6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine.

What is the SMILES notation for 6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine?

The canonical SMILES for 6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine is CCc1cc2c(N3CC(Cn4ccnc4C(C)C)C3)ncnc2s1.

What is the InChIKey of 6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine?

The InChIKey is KZUBRLKAWCCIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-4-14-7-15-17(20-11-21-18(15)24-14)23-9-13(10-23)8-22-6-5-19-16(22)12(2)3/h5-7,11-13H,4,8-10H2,1-3H3.

What are the key properties of 6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine?

6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 341.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 163352974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).