2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine

C23H28N4O3S — CID 133347310

About 2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine

2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 133347310) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine
• PubChem CID: 133347310
• Molecular Formula: C23H28N4O3S
• Molecular Weight: 440.57 g/mol
• Exact Mass: 440.19
• IUPAC Name: 2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine
• SMILES: c1coc(C2CN(c3nc(CN4CCOCC4)nc4sc5c(c34)CCCC5)CCO2)c1
• InChI: InChI=1S/C23H28N4O3S/c1-2-6-19-16(4-1)21-22(27-9-13-30-18(14-27)17-5-3-10-29-17)24-20(25-23(21)31-19)15-26-7-11-28-12-8-26/h3,5,10,18H,1-2,4,6-9,11-15H2
• InChIKey: WLPDQWDFZFLZRR-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 63.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.57
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine?

The IUPAC name of 2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine (CID 133347310) is 2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine.

What is the SMILES notation for 2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine?

The canonical SMILES for 2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine is c1coc(C2CN(c3nc(CN4CCOCC4)nc4sc5c(c34)CCCC5)CCO2)c1.

What is the InChIKey of 2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine?

The InChIKey is WLPDQWDFZFLZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-2-6-19-16(4-1)21-22(27-9-13-30-18(14-27)17-5-3-10-29-17)24-20(25-23(21)31-19)15-26-7-11-28-12-8-26/h3,5,10,18H,1-2,4,6-9,11-15H2.

What are the key properties of 2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine?

2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 440.57 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 133347310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).