6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine

C38H53ClF4N12O2 — CID 159038534

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine (PubChem CID 159038534) has the molecular formula C38H53ClF4N12O2 and a molecular weight of 821.37 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)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine.

Molecular Properties

• Compound Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine
• PubChem CID: 159038534
• Molecular Formula: C38H53ClF4N12O2
• Molecular Weight: 821.37 g/mol
• Exact Mass: 820.40
• IUPAC Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine
• SMILES: C1COCCN1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1
• InChI: InChI=1S/C19H26F2N6O.C15H18ClF2N5.C4H9NO/c1-13-11-14(2)27(25-13)18-23-16(22-15-3-5-19(20,21)6-4-15)12-17(24-18)26-7-9-28-10-8-26;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;1-3-6-4-2-5-1/h11-12,15H,3-10H2,1-2H3,(H,22,23,24);7-8,11H,3-6H2,1-2H3,(H,19,20,21);5H,1-4H2
• InChIKey: JVTGOWOUZOQZRP-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 144.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	821.37
LogP ≤ 5	6.63
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)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine?

The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine (CID 159038534) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine.

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)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine?

The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine is C1COCCN1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)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)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine?

The InChIKey is JVTGOWOUZOQZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N6O.C15H18ClF2N5.C4H9NO/c1-13-11-14(2)27(25-13)18-23-16(22-15-3-5-19(20,21)6-4-15)12-17(24-18)26-7-9-28-10-8-26;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;1-3-6-4-2-5-1/h11-12,15H,3-10H2,1-2H3,(H,22,23,24);7-8,11H,3-6H2,1-2H3,(H,19,20,21);5H,1-4H2.

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)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine?

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine has a molecular weight of 821.37 g/mol, XLogP of 6.63, 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)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine is sourced from PubChem (CID 159038534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).