1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol

C20H26N4O3S — CID 133323711

About 1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol

1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol (PubChem CID 133323711) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol.

Molecular Properties

• Compound Name: 1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol
• PubChem CID: 133323711
• Molecular Formula: C20H26N4O3S
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.17
• IUPAC Name: 1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol
• SMILES: Cc1sc2nc(CN3CCOCC3)nc(NCC(C)(O)c3ccco3)c2c1C
• InChI: InChI=1S/C20H26N4O3S/c1-13-14(2)28-19-17(13)18(21-12-20(3,25)15-5-4-8-27-15)22-16(23-19)11-24-6-9-26-10-7-24/h4-5,8,25H,6-7,9-12H2,1-3H3,(H,21,22,23)
• InChIKey: JQYTZBNBWVIWGY-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 83.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol?

The IUPAC name of 1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol (CID 133323711) is 1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol.

What is the SMILES notation for 1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol?

The canonical SMILES for 1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol is Cc1sc2nc(CN3CCOCC3)nc(NCC(C)(O)c3ccco3)c2c1C.

What is the InChIKey of 1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol?

The InChIKey is JQYTZBNBWVIWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-13-14(2)28-19-17(13)18(21-12-20(3,25)15-5-4-8-27-15)22-16(23-19)11-24-6-9-26-10-7-24/h4-5,8,25H,6-7,9-12H2,1-3H3,(H,21,22,23).

What are the key properties of 1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol?

1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol has a molecular weight of 402.52 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol is sourced from PubChem (CID 133323711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).