2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol

C17H22F2N4OS — CID 139300592

About 2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol

2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol (PubChem CID 139300592) has the molecular formula C17H22F2N4OS and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol
• PubChem CID: 139300592
• Molecular Formula: C17H22F2N4OS
• Molecular Weight: 368.45 g/mol
• Exact Mass: 368.15
• IUPAC Name: 2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol
• SMILES: Cc1csc(-c2nc(NC3CCC(F)(F)CC3)cc(C(C)(C)O)n2)n1
• InChI: InChI=1S/C17H22F2N4OS/c1-10-9-25-15(20-10)14-22-12(16(2,3)24)8-13(23-14)21-11-4-6-17(18,19)7-5-11/h8-9,11,24H,4-7H2,1-3H3,(H,21,22,23)
• InChIKey: XJRILHCUGHJFBI-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 70.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.45
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol?

The IUPAC name of 2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol (CID 139300592) is 2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol.

What is the SMILES notation for 2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol?

The canonical SMILES for 2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol is Cc1csc(-c2nc(NC3CCC(F)(F)CC3)cc(C(C)(C)O)n2)n1.

What is the InChIKey of 2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol?

The InChIKey is XJRILHCUGHJFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4OS/c1-10-9-25-15(20-10)14-22-12(16(2,3)24)8-13(23-14)21-11-4-6-17(18,19)7-5-11/h8-9,11,24H,4-7H2,1-3H3,(H,21,22,23).

What are the key properties of 2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol?

2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol has a molecular weight of 368.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propan-2-ol is sourced from PubChem (CID 139300592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).