2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol

C24H34N6O3S — CID 123407019

About 2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol

2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol (PubChem CID 123407019) has the molecular formula C24H34N6O3S and a molecular weight of 486.64 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

• Compound Name: 2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol
• PubChem CID: 123407019
• Molecular Formula: C24H34N6O3S
• Molecular Weight: 486.64 g/mol
• Exact Mass: 486.24
• IUPAC Name: 2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol
• SMILES: COCCNc1nc(C)c(-c2nc3c(C)nccc3s2)c(NC2CC(O)C(C(O)C(C)C)C2)n1
• InChI: InChI=1S/C24H34N6O3S/c1-12(2)21(32)16-10-15(11-17(16)31)28-22-19(13(3)27-24(30-22)26-8-9-33-5)23-29-20-14(4)25-7-6-18(20)34-23/h6-7,12,15-17,21,31-32H,8-11H2,1-5H3,(H2,26,27,28,30)
• InChIKey: BYTVHANCIMHDSS-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 125.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.64
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol?

The IUPAC name of 2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol (CID 123407019) is 2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol.

What is the SMILES notation for 2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol?

The canonical SMILES for 2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol is COCCNc1nc(C)c(-c2nc3c(C)nccc3s2)c(NC2CC(O)C(C(O)C(C)C)C2)n1.

What is the InChIKey of 2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol?

The InChIKey is BYTVHANCIMHDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O3S/c1-12(2)21(32)16-10-15(11-17(16)31)28-22-19(13(3)27-24(30-22)26-8-9-33-5)23-29-20-14(4)25-7-6-18(20)34-23/h6-7,12,15-17,21,31-32H,8-11H2,1-5H3,(H2,26,27,28,30).

What are the key properties of 2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol?

2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 486.64 g/mol, XLogP of 3.39, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-hydroxy-2-methylpropyl)-4-[[2-(2-methoxyethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 123407019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).