2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine

C127H133F19N20O6 — CID 161443720

About 2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine

2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 161443720) has the molecular formula C127H133F19N20O6 and a molecular weight of 2396.56 g/mol. Its IUPAC name is 2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
• PubChem CID: 161443720
• Molecular Formula: C127H133F19N20O6
• Molecular Weight: 2396.56 g/mol
• Exact Mass: 2395.04
• IUPAC Name: 2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
• SMILES: CC(F)(F)Oc1ccc(C2COCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)cc1.CC(F)(F)c1ccc(C2(C)CCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)cc1.CC(F)(F)c1ccc(C2CC(F)(F)CN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)cc1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)c(F)c1.CCC1(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)CCC1
• InChI: InChI=1S/C27H29F3N4O.C26H25F5N4O.C26H26F4N4O.C26H27F3N4O3.C22H26F4N4/c1-26(20-9-11-21(12-10-20)27(2,29)30)14-3-15-34(26)25-24(28)22(32-17-33-25)13-8-18-4-6-19(7-5-18)16-23(31)35;1-25(28,29)19-9-7-18(8-10-19)21-13-26(30,31)14-35(21)24-23(27)20(33-15-34-24)11-6-16-2-4-17(5-3-16)12-22(32)36;1-26(29,30)18-9-10-19(20(27)14-18)22-3-2-12-34(22)25-24(28)21(32-15-33-25)11-8-16-4-6-17(7-5-16)13-23(31)35;1-26(28,29)36-20-9-7-19(8-10-20)22-15-35-13-12-33(22)25-24(27)21(31-16-32-25)11-6-17-2-4-18(5-3-17)14-23(30)34;1-2-21(10-4-11-21)13-27-19-18(23)20(29-14-28-19)30-12-3-5-17(30)15-6-8-16(9-7-15)22(24,25)26/h4-7,9-12,17H,3,8,13-16H2,1-2H3,(H2,31,35);2-5,7-10,15,21H,6,11-14H2,1H3,(H2,32,36);4-7,9-10,14-15,22H,2-3,8,11-13H2,1H3,(H2,31,35);2-5,7-10,16,22H,6,11-15H2,1H3,(H2,30,34);6-9,14,17H,2-5,10-13H2,1H3,(H,27,28,29)
• InChIKey: VZPUVUIVUKQJOA-UHFFFAOYSA-N
• XLogP: 25.17
• TPSA: 347.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 39
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2396.56
LogP ≤ 5	25.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?

The IUPAC name of 2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 161443720) is 2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine.

What is the SMILES notation for 2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?

The canonical SMILES for 2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine is CC(F)(F)Oc1ccc(C2COCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)cc1.CC(F)(F)c1ccc(C2(C)CCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)cc1.CC(F)(F)c1ccc(C2CC(F)(F)CN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)cc1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)c(F)c1.CCC1(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)CCC1.

What is the InChIKey of 2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?

The InChIKey is VZPUVUIVUKQJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O.C26H25F5N4O.C26H26F4N4O.C26H27F3N4O3.C22H26F4N4/c1-26(20-9-11-21(12-10-20)27(2,29)30)14-3-15-34(26)25-24(28)22(32-17-33-25)13-8-18-4-6-19(7-5-18)16-23(31)35;1-25(28,29)19-9-7-18(8-10-19)21-13-26(30,31)14-35(21)24-23(27)20(33-15-34-24)11-6-16-2-4-17(5-3-16)12-22(32)36;1-26(29,30)18-9-10-19(20(27)14-18)22-3-2-12-34(22)25-24(28)21(32-15-33-25)11-8-16-4-6-17(7-5-16)13-23(31)35;1-26(28,29)36-20-9-7-19(8-10-20)22-15-35-13-12-33(22)25-24(27)21(31-16-32-25)11-6-17-2-4-18(5-3-17)14-23(30)34;1-2-21(10-4-11-21)13-27-19-18(23)20(29-14-28-19)30-12-3-5-17(30)15-6-8-16(9-7-15)22(24,25)26/h4-7,9-12,17H,3,8,13-16H2,1-2H3,(H2,31,35);2-5,7-10,15,21H,6,11-14H2,1H3,(H2,32,36);4-7,9-10,14-15,22H,2-3,8,11-13H2,1H3,(H2,31,35);2-5,7-10,16,22H,6,11-15H2,1H3,(H2,30,34);6-9,14,17H,2-5,10-13H2,1H3,(H,27,28,29).

What are the key properties of 2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?

2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 2396.56 g/mol, XLogP of 25.17, 39 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)-2-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;N-[(1-ethylcyclobutyl)methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 161443720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).