5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide

C100H107F13N22O6 — CID 161486713

About 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide

5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide (PubChem CID 161486713) has the molecular formula C100H107F13N22O6 and a molecular weight of 1960.08 g/mol. Its IUPAC name is 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
• PubChem CID: 161486713
• Molecular Formula: C100H107F13N22O6
• Molecular Weight: 1960.08 g/mol
• Exact Mass: 1958.85
• IUPAC Name: 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
• SMILES: CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(C4(C)NC(=O)NC4=O)cc3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cn1.CN(c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F)C1(c2ccc(C(C)(F)F)cc2)CC1.CNC(=O)CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCOCC1
• InChI: InChI=1S/C27H27F3N6O2.C25H26F3N5O.C24H29F4N5O2.C24H25F3N6O/c1-26(24(37)34-25(38)35-26)18-7-3-16(4-8-18)13-31-22-21(28)23(33-15-32-22)36(20-11-12-20)14-17-5-9-19(10-6-17)27(2,29)30;1-24(27,28)18-7-9-19(10-8-18)25(11-12-25)33(2)23-21(26)22(31-15-32-23)30-14-17-5-3-16(4-6-17)13-20(29)34;1-29-19(34)12-23(8-10-35-11-9-23)14-30-21-20(25)22(32-15-31-21)33(18-6-7-18)13-16-2-4-17(5-3-16)24(26,27)28;1-24(26,27)19-9-6-17(12-29-19)13-33(18-7-8-18)23-21(25)22(31-14-32-23)30-11-16-4-2-15(3-5-16)10-20(28)34/h3-10,15,20H,11-14H2,1-2H3,(H,31,32,33)(H2,34,35,37,38);3-10,15H,11-14H2,1-2H3,(H2,29,34)(H,30,31,32);2-5,15,18H,6-14H2,1H3,(H,29,34)(H,30,31,32);2-6,9,12,14,18H,7-8,10-11,13H2,1H3,(H2,28,34)(H,30,31,32)
• InChIKey: WFBJHZAIKLKDHF-UHFFFAOYSA-N
• XLogP: 17.14
• TPSA: 359.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 37
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1960.08
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide?

The IUPAC name of 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide (CID 161486713) is 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide.

What is the SMILES notation for 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide?

The canonical SMILES for 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide is CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(C4(C)NC(=O)NC4=O)cc3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cn1.CN(c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F)C1(c2ccc(C(C)(F)F)cc2)CC1.CNC(=O)CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCOCC1.

What is the InChIKey of 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide?

The InChIKey is WFBJHZAIKLKDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O2.C25H26F3N5O.C24H29F4N5O2.C24H25F3N6O/c1-26(24(37)34-25(38)35-26)18-7-3-16(4-8-18)13-31-22-21(28)23(33-15-32-22)36(20-11-12-20)14-17-5-9-19(10-6-17)27(2,29)30;1-24(27,28)18-7-9-19(10-8-18)25(11-12-25)33(2)23-21(26)22(31-15-32-23)30-14-17-5-3-16(4-6-17)13-20(29)34;1-29-19(34)12-23(8-10-35-11-9-23)14-30-21-20(25)22(32-15-31-21)33(18-6-7-18)13-16-2-4-17(5-3-16)24(26,27)28;1-24(26,27)19-9-6-17(12-29-19)13-33(18-7-8-18)23-21(25)22(31-14-32-23)30-11-16-4-2-15(3-5-16)10-20(28)34/h3-10,15,20H,11-14H2,1-2H3,(H,31,32,33)(H2,34,35,37,38);3-10,15H,11-14H2,1-2H3,(H2,29,34)(H,30,31,32);2-5,15,18H,6-14H2,1H3,(H,29,34)(H,30,31,32);2-6,9,12,14,18H,7-8,10-11,13H2,1H3,(H2,28,34)(H,30,31,32).

What are the key properties of 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide?

5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide has a molecular weight of 1960.08 g/mol, XLogP of 17.14, 37 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 161486713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).