6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine

C42H61ClF4N12O2 — CID 160651176

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine (PubChem CID 160651176) has the molecular formula C42H61ClF4N12O2 and a molecular weight of 877.48 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine.

Molecular Properties

• Compound Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine
• PubChem CID: 160651176
• Molecular Formula: C42H61ClF4N12O2
• Molecular Weight: 877.48 g/mol
• Exact Mass: 876.47
• IUPAC Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine
• SMILES: CC1CNCC(C)O1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(N3CC(C)OC(C)C3)n2)n1
• InChI: InChI=1S/C21H30F2N6O.C15H18ClF2N5.C6H13NO/c1-13-9-14(2)29(27-13)20-25-18(24-17-5-7-21(22,23)8-6-17)10-19(26-20)28-11-15(3)30-16(4)12-28;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-5-3-7-4-6(2)8-5/h9-10,15-17H,5-8,11-12H2,1-4H3,(H,24,25,26);7-8,11H,3-6H2,1-2H3,(H,19,20,21);5-7H,3-4H2,1-2H3
• InChIKey: RKLAOFCGOQCWBI-UHFFFAOYSA-N
• XLogP: 8.19
• TPSA: 144.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	877.48
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine?

The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine (CID 160651176) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine.

What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine?

The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine is CC1CNCC(C)O1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(N3CC(C)OC(C)C3)n2)n1.

What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine?

The InChIKey is RKLAOFCGOQCWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2N6O.C15H18ClF2N5.C6H13NO/c1-13-9-14(2)29(27-13)20-25-18(24-17-5-7-21(22,23)8-6-17)10-19(26-20)28-11-15(3)30-16(4)12-28;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-5-3-7-4-6(2)8-5/h9-10,15-17H,5-8,11-12H2,1-4H3,(H,24,25,26);7-8,11H,3-6H2,1-2H3,(H,19,20,21);5-7H,3-4H2,1-2H3.

What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine?

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine has a molecular weight of 877.48 g/mol, XLogP of 8.19, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2,6-dimethylmorpholine is sourced from PubChem (CID 160651176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).