[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol

C30H42N6O2S2 — CID 157472298

About [1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol

[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 157472298) has the molecular formula C30H42N6O2S2 and a molecular weight of 582.84 g/mol. Its IUPAC name is [1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

• Compound Name: [1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
• PubChem CID: 157472298
• Molecular Formula: C30H42N6O2S2
• Molecular Weight: 582.84 g/mol
• Exact Mass: 582.28
• IUPAC Name: [1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
• SMILES: CC(C)c1cc2c(N3CCC(CO)CC3)ncnc2s1.CCc1c(C)sc2ncnc(N3CCC(CO)CC3)c12
• InChI: InChI=1S/2C15H21N3OS/c1-10(2)13-7-12-14(16-9-17-15(12)20-13)18-5-3-11(8-19)4-6-18;1-3-12-10(2)20-15-13(12)14(16-9-17-15)18-6-4-11(8-19)5-7-18/h7,9-11,19H,3-6,8H2,1-2H3;9,11,19H,3-8H2,1-2H3
• InChIKey: BVELHUPMYIILCW-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 98.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.84
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?

The IUPAC name of [1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol (CID 157472298) is [1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol.

What is the SMILES notation for [1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?

The canonical SMILES for [1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol is CC(C)c1cc2c(N3CCC(CO)CC3)ncnc2s1.CCc1c(C)sc2ncnc(N3CCC(CO)CC3)c12.

What is the InChIKey of [1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?

The InChIKey is BVELHUPMYIILCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H21N3OS/c1-10(2)13-7-12-14(16-9-17-15(12)20-13)18-5-3-11(8-19)4-6-18;1-3-12-10(2)20-15-13(12)14(16-9-17-15)18-6-4-11(8-19)5-7-18/h7,9-11,19H,3-6,8H2,1-2H3;9,11,19H,3-8H2,1-2H3.

What are the key properties of [1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?

[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 582.84 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 157472298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).