[3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol

C24H32N6OS — CID 91228631

About [3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol

[3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 91228631) has the molecular formula C24H32N6OS and a molecular weight of 452.63 g/mol. Its IUPAC name is [3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

• Compound Name: [3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol
• PubChem CID: 91228631
• Molecular Formula: C24H32N6OS
• Molecular Weight: 452.63 g/mol
• Exact Mass: 452.24
• IUPAC Name: [3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol
• SMILES: Cc1nc(NC2CC2)nc(NC2CCC(CO)C2)c1-c1nc2c(CC(C)C)nccc2s1
• InChI: InChI=1S/C24H32N6OS/c1-13(2)10-18-21-19(8-9-25-18)32-23(29-21)20-14(3)26-24(28-16-6-7-16)30-22(20)27-17-5-4-15(11-17)12-31/h8-9,13,15-17,31H,4-7,10-12H2,1-3H3,(H2,26,27,28,30)
• InChIKey: YXOAUVWOKKZOQI-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 95.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.63
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol?

The IUPAC name of [3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol (CID 91228631) is [3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol.

What is the SMILES notation for [3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol?

The canonical SMILES for [3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol is Cc1nc(NC2CC2)nc(NC2CCC(CO)C2)c1-c1nc2c(CC(C)C)nccc2s1.

What is the InChIKey of [3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol?

The InChIKey is YXOAUVWOKKZOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6OS/c1-13(2)10-18-21-19(8-9-25-18)32-23(29-21)20-14(3)26-24(28-16-6-7-16)30-22(20)27-17-5-4-15(11-17)12-31/h8-9,13,15-17,31H,4-7,10-12H2,1-3H3,(H2,26,27,28,30).

What are the key properties of [3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol?

[3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 452.63 g/mol, XLogP of 4.80, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 91228631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).