2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol

C26H36N6O3S — CID 123508965

About 2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol

2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol (PubChem CID 123508965) has the molecular formula C26H36N6O3S and a molecular weight of 512.68 g/mol. Its IUPAC name is 2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol
• PubChem CID: 123508965
• Molecular Formula: C26H36N6O3S
• Molecular Weight: 512.68 g/mol
• Exact Mass: 512.26
• IUPAC Name: 2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol
• SMILES: COC1(CNc2nc(C)c(-c3nc4c(C)nccc4s3)c(NC3CCC(C(C)(C)O)C3)n2)CCOC1
• InChI: InChI=1S/C26H36N6O3S/c1-15-20(23-31-21-16(2)27-10-8-19(21)36-23)22(30-18-7-6-17(12-18)25(3,4)33)32-24(29-15)28-13-26(34-5)9-11-35-14-26/h8,10,17-18,33H,6-7,9,11-14H2,1-5H3,(H2,28,29,30,32)
• InChIKey: YNRHGAUOCBMUEQ-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 114.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.68
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol?

The IUPAC name of 2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol (CID 123508965) is 2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol.

What is the SMILES notation for 2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol?

The canonical SMILES for 2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol is COC1(CNc2nc(C)c(-c3nc4c(C)nccc4s3)c(NC3CCC(C(C)(C)O)C3)n2)CCOC1.

What is the InChIKey of 2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol?

The InChIKey is YNRHGAUOCBMUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O3S/c1-15-20(23-31-21-16(2)27-10-8-19(21)36-23)22(30-18-7-6-17(12-18)25(3,4)33)32-24(29-15)28-13-26(34-5)9-11-35-14-26/h8,10,17-18,33H,6-7,9,11-14H2,1-5H3,(H2,28,29,30,32).

What are the key properties of 2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol?

2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol has a molecular weight of 512.68 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[2-[(3-methoxyoxolan-3-yl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol is sourced from PubChem (CID 123508965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).