2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide

C117H154F9N25O7 — CID 159666779

About 2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide

2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide (PubChem CID 159666779) has the molecular formula C117H154F9N25O7 and a molecular weight of 2193.67 g/mol. Its IUPAC name is 2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide.

Molecular Properties

• Compound Name: 2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide
• PubChem CID: 159666779
• Molecular Formula: C117H154F9N25O7
• Molecular Weight: 2193.67 g/mol
• Exact Mass: 2192.23
• IUPAC Name: 2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide
• SMILES: CC(C)(C)CC(Nc1ncnc(N2CCCC2c2ccc(C(C)(C)C)cc2)c1F)C(N)=O.CC(C)(C)CC(Nc1ncnc(N2CCCC2c2ccc3c(c2)OCCO3)c1F)C(N)=O.CC(C)(C)CC(Nc1ncnc(N2CCCC2c2ccc3ncccc3c2)c1F)C(N)=O.CC(C)(C)CC(Nc1ncnc(N2CCOCC2c2ccc(C(C)(F)F)cc2)c1F)C(N)=O.CC(C)(C)CCNc1ncnc(N2CCCC2c2ccc(C(C)(F)F)cc2)c1F
• InChI: InChI=1S/C25H36FN5O.C24H29FN6O.C23H30F3N5O2.C23H30FN5O3.C22H29F3N4/c1-24(2,3)14-18(21(27)32)30-22-20(26)23(29-15-28-22)31-13-7-8-19(31)16-9-11-17(12-10-16)25(4,5)6;1-24(2,3)13-18(21(26)32)30-22-20(25)23(29-14-28-22)31-11-5-7-19(31)16-8-9-17-15(12-16)6-4-10-27-17;1-22(2,3)11-16(19(27)32)30-20-18(24)21(29-13-28-20)31-9-10-33-12-17(31)14-5-7-15(8-6-14)23(4,25)26;1-23(2,3)12-15(20(25)30)28-21-19(24)22(27-13-26-21)29-8-4-5-16(29)14-6-7-17-18(11-14)32-10-9-31-17;1-21(2,3)11-12-26-19-18(23)20(28-14-27-19)29-13-5-6-17(29)15-7-9-16(10-8-15)22(4,24)25/h9-12,15,18-19H,7-8,13-14H2,1-6H3,(H2,27,32)(H,28,29,30);4,6,8-10,12,14,18-19H,5,7,11,13H2,1-3H3,(H2,26,32)(H,28,29,30);5-8,13,16-17H,9-12H2,1-4H3,(H2,27,32)(H,28,29,30);6-7,11,13,15-16H,4-5,8-10,12H2,1-3H3,(H2,25,30)(H,26,27,28);7-10,14,17H,5-6,11-13H2,1-4H3,(H,26,27,28)
• InChIKey: MTMUCXFKMRCXCC-UHFFFAOYSA-N
• XLogP: 22.52
• TPSA: 418.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.67
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide?

The IUPAC name of 2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide (CID 159666779) is 2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide.

What is the SMILES notation for 2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide?

The canonical SMILES for 2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide is CC(C)(C)CC(Nc1ncnc(N2CCCC2c2ccc(C(C)(C)C)cc2)c1F)C(N)=O.CC(C)(C)CC(Nc1ncnc(N2CCCC2c2ccc3c(c2)OCCO3)c1F)C(N)=O.CC(C)(C)CC(Nc1ncnc(N2CCCC2c2ccc3ncccc3c2)c1F)C(N)=O.CC(C)(C)CC(Nc1ncnc(N2CCOCC2c2ccc(C(C)(F)F)cc2)c1F)C(N)=O.CC(C)(C)CCNc1ncnc(N2CCCC2c2ccc(C(C)(F)F)cc2)c1F.

What is the InChIKey of 2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide?

The InChIKey is MTMUCXFKMRCXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FN5O.C24H29FN6O.C23H30F3N5O2.C23H30FN5O3.C22H29F3N4/c1-24(2,3)14-18(21(27)32)30-22-20(26)23(29-15-28-22)31-13-7-8-19(31)16-9-11-17(12-10-16)25(4,5)6;1-24(2,3)13-18(21(26)32)30-22-20(25)23(29-14-28-22)31-11-5-7-19(31)16-8-9-17-15(12-16)6-4-10-27-17;1-22(2,3)11-16(19(27)32)30-20-18(24)21(29-13-28-20)31-9-10-33-12-17(31)14-5-7-15(8-6-14)23(4,25)26;1-23(2,3)12-15(20(25)30)28-21-19(24)22(27-13-26-21)29-8-4-5-16(29)14-6-7-17-18(11-14)32-10-9-31-17;1-21(2,3)11-12-26-19-18(23)20(28-14-27-19)29-13-5-6-17(29)15-7-9-16(10-8-15)22(4,24)25/h9-12,15,18-19H,7-8,13-14H2,1-6H3,(H2,27,32)(H,28,29,30);4,6,8-10,12,14,18-19H,5,7,11,13H2,1-3H3,(H2,26,32)(H,28,29,30);5-8,13,16-17H,9-12H2,1-4H3,(H2,27,32)(H,28,29,30);6-7,11,13,15-16H,4-5,8-10,12H2,1-3H3,(H2,25,30)(H,26,27,28);7-10,14,17H,5-6,11-13H2,1-4H3,(H,26,27,28).

What are the key properties of 2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide?

2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide has a molecular weight of 2193.67 g/mol, XLogP of 22.52, 31 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide is sourced from PubChem (CID 159666779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).