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

C24H30F2N6OS — CID 123410921

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

[3-[[2-[1-(3,3-difluorocyclobutyl)ethylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 123410921) has the molecular formula C24H30F2N6OS and a molecular weight of 488.61 g/mol. Its IUPAC name is [3-[[2-[1-(3,3-difluorocyclobutyl)ethylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

• Compound Name: [3-[[2-[1-(3,3-difluorocyclobutyl)ethylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol
• PubChem CID: 123410921
• Molecular Formula: C24H30F2N6OS
• Molecular Weight: 488.61 g/mol
• Exact Mass: 488.22
• IUPAC Name: [3-[[2-[1-(3,3-difluorocyclobutyl)ethylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol
• SMILES: Cc1nc(NC(C)C2CC(F)(F)C2)nc(NC2CCC(CO)C2)c1-c1nc2c(C)nccc2s1
• InChI: InChI=1S/C24H30F2N6OS/c1-12(16-9-24(25,26)10-16)28-23-29-13(2)19(21(32-23)30-17-5-4-15(8-17)11-33)22-31-20-14(3)27-7-6-18(20)34-22/h6-7,12,15-17,33H,4-5,8-11H2,1-3H3,(H2,28,29,30,32)
• InChIKey: NZNLSNPDFOFKIH-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 95.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.61
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [3-[[2-[1-(3,3-difluorocyclobutyl)ethylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol (CID 123410921) is [3-[[2-[1-(3,3-difluorocyclobutyl)ethylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol.

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

The canonical SMILES for [3-[[2-[1-(3,3-difluorocyclobutyl)ethylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol is Cc1nc(NC(C)C2CC(F)(F)C2)nc(NC2CCC(CO)C2)c1-c1nc2c(C)nccc2s1.

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

The InChIKey is NZNLSNPDFOFKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N6OS/c1-12(16-9-24(25,26)10-16)28-23-29-13(2)19(21(32-23)30-17-5-4-15(8-17)11-33)22-31-20-14(3)27-7-6-18(20)34-22/h6-7,12,15-17,33H,4-5,8-11H2,1-3H3,(H2,28,29,30,32).

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

[3-[[2-[1-(3,3-difluorocyclobutyl)ethylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 488.61 g/mol, XLogP of 5.18, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[2-[1-(3,3-difluorocyclobutyl)ethylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 123410921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).