6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine

C40H55ClF6N12O2 — CID 160793282

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine

6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine (PubChem CID 160793282) has the molecular formula C40H55ClF6N12O2 and a molecular weight of 885.40 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine.

Molecular Properties

• Compound Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine
• PubChem CID: 160793282
• Molecular Formula: C40H55ClF6N12O2
• Molecular Weight: 885.40 g/mol
• Exact Mass: 884.42
• IUPAC Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine
• SMILES: CC1CN(c2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CF)n3)n2)CC(C)O1.CC1CNCC(C)O1.FCc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1
• InChI: InChI=1S/C20H27F3N6O.C14H15ClF3N5.C6H13NO/c1-13-11-28(12-14(2)30-13)18-9-17(24-15-3-6-20(22,23)7-4-15)25-19(26-18)29-8-5-16(10-21)27-29;15-11-7-12(19-9-1-4-14(17,18)5-2-9)21-13(20-11)23-6-3-10(8-16)22-23;1-5-3-7-4-6(2)8-5/h5,8-9,13-15H,3-4,6-7,10-12H2,1-2H3,(H,24,25,26);3,6-7,9H,1-2,4-5,8H2,(H,19,20,21);5-7H,3-4H2,1-2H3
• InChIKey: SCCJFLMIHJMAIQ-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 144.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	885.40
LogP ≤ 5	7.89
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-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine?

The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine (CID 160793282) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine.

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

The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine is CC1CN(c2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CF)n3)n2)CC(C)O1.CC1CNCC(C)O1.FCc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.

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

The InChIKey is SCCJFLMIHJMAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N6O.C14H15ClF3N5.C6H13NO/c1-13-11-28(12-14(2)30-13)18-9-17(24-15-3-6-20(22,23)7-4-15)25-19(26-18)29-8-5-16(10-21)27-29;15-11-7-12(19-9-1-4-14(17,18)5-2-9)21-13(20-11)23-6-3-10(8-16)22-23;1-5-3-7-4-6(2)8-5/h5,8-9,13-15H,3-4,6-7,10-12H2,1-2H3,(H,24,25,26);3,6-7,9H,1-2,4-5,8H2,(H,19,20,21);5-7H,3-4H2,1-2H3.

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

6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine has a molecular weight of 885.40 g/mol, XLogP of 7.89, 9 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-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine is sourced from PubChem (CID 160793282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).