[3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol

C26H32N6O2S — CID 91022304

About [3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol

[3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol (PubChem CID 91022304) has the molecular formula C26H32N6O2S and a molecular weight of 492.65 g/mol. Its IUPAC name is [3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol.

Molecular Properties

• Compound Name: [3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol
• PubChem CID: 91022304
• Molecular Formula: C26H32N6O2S
• Molecular Weight: 492.65 g/mol
• Exact Mass: 492.23
• IUPAC Name: [3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol
• SMILES: CCc1cc2cc(-c3c(C)nc(NCc4nccs4)nc3NC3(C)CCC(CO)C3C)oc2cn1
• InChI: InChI=1S/C26H32N6O2S/c1-5-19-10-18-11-20(34-21(18)12-28-19)23-16(3)30-25(29-13-22-27-8-9-35-22)31-24(23)32-26(4)7-6-17(14-33)15(26)2/h8-12,15,17,33H,5-7,13-14H2,1-4H3,(H2,29,30,31,32)
• InChIKey: BAGKMHJWZCHDGY-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 108.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.65
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol?

The IUPAC name of [3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol (CID 91022304) is [3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol.

What is the SMILES notation for [3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol?

The canonical SMILES for [3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol is CCc1cc2cc(-c3c(C)nc(NCc4nccs4)nc3NC3(C)CCC(CO)C3C)oc2cn1.

What is the InChIKey of [3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol?

The InChIKey is BAGKMHJWZCHDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2S/c1-5-19-10-18-11-20(34-21(18)12-28-19)23-16(3)30-25(29-13-22-27-8-9-35-22)31-24(23)32-26(4)7-6-17(14-33)15(26)2/h8-12,15,17,33H,5-7,13-14H2,1-4H3,(H2,29,30,31,32).

What are the key properties of [3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol?

[3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol has a molecular weight of 492.65 g/mol, XLogP of 5.43, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol is sourced from PubChem (CID 91022304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).