3-amino-1-methylpyrrolidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

C42H45ClF6N14O2 — CID 161154604

About 3-amino-1-methylpyrrolidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

3-amino-1-methylpyrrolidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (PubChem CID 161154604) has the molecular formula C42H45ClF6N14O2 and a molecular weight of 927.36 g/mol. Its IUPAC name is 3-amino-1-methylpyrrolidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-amino-1-methylpyrrolidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
• PubChem CID: 161154604
• Molecular Formula: C42H45ClF6N14O2
• Molecular Weight: 927.36 g/mol
• Exact Mass: 926.34
• IUPAC Name: 3-amino-1-methylpyrrolidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
• SMILES: CN1CCC(N)C1=O.Cc1cc(C)n(-c2nc(Cl)cc(Nc3cccc(C(F)(F)F)c3)n2)n1.Cc1cc(C)n(-c2nc(Nc3cccc(C(F)(F)F)c3)cc(NC3CCN(C)C3=O)n2)n1
• InChI: InChI=1S/C21H22F3N7O.C16H13ClF3N5.C5H10N2O/c1-12-9-13(2)31(29-12)20-27-17(25-15-6-4-5-14(10-15)21(22,23)24)11-18(28-20)26-16-7-8-30(3)19(16)32;1-9-6-10(2)25(24-9)15-22-13(17)8-14(23-15)21-12-5-3-4-11(7-12)16(18,19)20;1-7-3-2-4(6)5(7)8/h4-6,9-11,16H,7-8H2,1-3H3,(H2,25,26,27,28);3-8H,1-2H3,(H,21,22,23);4H,2-3,6H2,1H3
• InChIKey: UPCYZJGYOYCFJO-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 189.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	927.36
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 3-amino-1-methylpyrrolidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (CID 161154604) is 3-amino-1-methylpyrrolidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.

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

The canonical SMILES for 3-amino-1-methylpyrrolidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is CN1CCC(N)C1=O.Cc1cc(C)n(-c2nc(Cl)cc(Nc3cccc(C(F)(F)F)c3)n2)n1.Cc1cc(C)n(-c2nc(Nc3cccc(C(F)(F)F)c3)cc(NC3CCN(C)C3=O)n2)n1.

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

The InChIKey is UPCYZJGYOYCFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N7O.C16H13ClF3N5.C5H10N2O/c1-12-9-13(2)31(29-12)20-27-17(25-15-6-4-5-14(10-15)21(22,23)24)11-18(28-20)26-16-7-8-30(3)19(16)32;1-9-6-10(2)25(24-9)15-22-13(17)8-14(23-15)21-12-5-3-4-11(7-12)16(18,19)20;1-7-3-2-4(6)5(7)8/h4-6,9-11,16H,7-8H2,1-3H3,(H2,25,26,27,28);3-8H,1-2H3,(H,21,22,23);4H,2-3,6H2,1H3.

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

3-amino-1-methylpyrrolidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 927.36 g/mol, XLogP of 7.55, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-methylpyrrolidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 161154604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).