4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C26H37N7O2S — CID 159211262

About 4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 159211262) has the molecular formula C26H37N7O2S and a molecular weight of 511.70 g/mol. Its IUPAC name is 4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol
• PubChem CID: 159211262
• Molecular Formula: C26H37N7O2S
• Molecular Weight: 511.70 g/mol
• Exact Mass: 511.27
• IUPAC Name: 4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol
• SMILES: CC(C)(CN1CCOCC1)NCc1cc(Cc2nc3cccnc3s2)nc(NC2CCC(O)CC2)n1
• InChI: InChI=1S/C26H37N7O2S/c1-26(2,17-33-10-12-35-13-11-33)28-16-20-14-19(15-23-32-22-4-3-9-27-24(22)36-23)30-25(31-20)29-18-5-7-21(34)8-6-18/h3-4,9,14,18,21,28,34H,5-8,10-13,15-17H2,1-2H3,(H,29,30,31)
• InChIKey: KQNDSOBNBYWADF-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 108.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.70
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?

The IUPAC name of 4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 159211262) is 4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

What is the SMILES notation for 4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?

The canonical SMILES for 4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol is CC(C)(CN1CCOCC1)NCc1cc(Cc2nc3cccnc3s2)nc(NC2CCC(O)CC2)n1.

What is the InChIKey of 4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?

The InChIKey is KQNDSOBNBYWADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O2S/c1-26(2,17-33-10-12-35-13-11-33)28-16-20-14-19(15-23-32-22-4-3-9-27-24(22)36-23)30-25(31-20)29-18-5-7-21(34)8-6-18/h3-4,9,14,18,21,28,34H,5-8,10-13,15-17H2,1-2H3,(H,29,30,31).

What are the key properties of 4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?

4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 511.70 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 159211262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).