3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

C80H109ClF8N28O4 — CID 158093197

About 3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (PubChem CID 158093197) has the molecular formula C80H109ClF8N28O4 and a molecular weight of 1714.38 g/mol. Its IUPAC name is 3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
• PubChem CID: 158093197
• Molecular Formula: C80H109ClF8N28O4
• Molecular Weight: 1714.38 g/mol
• Exact Mass: 1712.87
• IUPAC Name: 3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
• SMILES: CN1CCC(N)C1=O.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(NC3CCN(C)C3=O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(N[C@@H]3CCN(C)C3=O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(N[C@H]3CCN(C)C3=O)n2)n1
• InChI: InChI=1S/3C20H27F2N7O.C15H18ClF2N5.C5H10N2O/c3*1-12-10-13(2)29(27-12)19-25-16(23-14-4-7-20(21,22)8-5-14)11-17(26-19)24-15-6-9-28(3)18(15)30;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;1-7-3-2-4(6)5(7)8/h3*10-11,14-15H,4-9H2,1-3H3,(H2,23,24,25,26);7-8,11H,3-6H2,1-2H3,(H,19,20,21);4H,2-3,6H2,1H3/t2*15-;;;/m10.../s1
• InChIKey: FOIUIHGOEDKPMZ-LEHZRZNWSA-N
• XLogP: 11.83
• TPSA: 365.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1714.38
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?

The IUPAC name of 3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (CID 158093197) is 3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.

What is the SMILES notation for 3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?

The canonical SMILES for 3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is CN1CCC(N)C1=O.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(NC3CCN(C)C3=O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(N[C@@H]3CCN(C)C3=O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(N[C@H]3CCN(C)C3=O)n2)n1.

What is the InChIKey of 3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?

The InChIKey is FOIUIHGOEDKPMZ-LEHZRZNWSA-N. The full InChI is InChI=1S/3C20H27F2N7O.C15H18ClF2N5.C5H10N2O/c3*1-12-10-13(2)29(27-12)19-25-16(23-14-4-7-20(21,22)8-5-14)11-17(26-19)24-15-6-9-28(3)18(15)30;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;1-7-3-2-4(6)5(7)8/h3*10-11,14-15H,4-9H2,1-3H3,(H2,23,24,25,26);7-8,11H,3-6H2,1-2H3,(H,19,20,21);4H,2-3,6H2,1H3/t2*15-;;;/m10.../s1.

What are the key properties of 3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?

3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 1714.38 g/mol, XLogP of 11.83, 18 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-methylpyrrolidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;(3S)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 158093197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).