2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide

C172H186F10N33O8+ — CID 157362495

IUPAC2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCCCn1c[n+](C)cc1CN(C)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.CCN(Cc1cn(CC)nc1C)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.CCc1ccc2cc(CN(C)c3ncnc(CCc4ccc(CC(N)=O)cc4)c3F)ccc2c1.CN(Cc1ccc2ccccc2c1)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.CN(Cc1cccc2ccccc12)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.CN(Cc1ccccc1OC(F)(F)F)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.Cn1ccc(CN(c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)C2CC2)c1
InChIInChI=1S/C28H29FN4O.2C26H25FN4O.C23H22F4N4O2.2C23H29FN6O.C23H26FN5O/c1-3-19-8-11-24-15-22(9-12-23(24)14-19)17-33(2)28-27(29)25(31-18-32-28)13-10-20-4-6-21(7-5-20)16-26(30)34;1-31(16-21-7-4-6-20-5-2-3-8-22(20)21)26-25(27)23(29-17-30-26)14-13-18-9-11-19(12-10-18)15-24(28)32;1-31(16-20-10-12-21-4-2-3-5-22(21)14-20)26-25(27)23(29-17-30-26)13-11-18-6-8-19(9-7-18)15-24(28)32;1-31(13-17-4-2-3-5-19(17)33-23(25,26)27)22-21(24)18(29-14-30-22)11-10-15-6-8-16(9-7-15)12-20(28)32;1-4-11-30-16-28(2)13-19(30)14-29(3)23-22(24)20(26-15-27-23)10-9-17-5-7-18(8-6-17)12-21(25)31;1-4-29(13-19-14-30(5-2)28-16(19)3)23-22(24)20(26-15-27-23)11-10-17-6-8-18(9-7-17)12-21(25)31;1-28-11-10-18(13-28)14-29(19-7-8-19)23-22(24)20(26-15-27-23)9-6-16-2-4-17(5-3-16)12-21(25)30/h4-9,11-12,14-15,18H,3,10,13,16-17H2,1-2H3,(H2,30,34);2-12,17H,13-16H2,1H3,(H2,28,32);2-10,12,14,17H,11,13,15-16H2,1H3,(H2,28,32);2-9,14H,10-13H2,1H3,(H2,28,32);5-8,13,15-16H,4,9-12,14H2,1-3H3,(H-,25,31);6-9,14-15H,4-5,10-13H2,1-3H3,(H2,25,31);2-5,10-11,13,15,19H,6-9,12,14H2,1H3,(H2,25,30)/p+1
InChIKeyOAXIMGDRFILXMS-UHFFFAOYSA-O
MW3033.58 g/mol
LogP25.20
Rot. Bonds63

About 2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide

2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 157362495) has the molecular formula C172H186F10N33O8+ and a molecular weight of 3033.58 g/mol. Its IUPAC name is 2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide
PubChem CID157362495
Molecular FormulaC172H186F10N33O8+
Molecular Weight3033.58 g/mol
Exact Mass3031.50
IUPAC Name2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCCCn1c[n+](C)cc1CN(C)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.CCN(Cc1cn(CC)nc1C)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.CCc1ccc2cc(CN(C)c3ncnc(CCc4ccc(CC(N)=O)cc4)c3F)ccc2c1.CN(Cc1ccc2ccccc2c1)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.CN(Cc1cccc2ccccc12)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.CN(Cc1ccccc1OC(F)(F)F)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.Cn1ccc(CN(c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)C2CC2)c1
InChIInChI=1S/C28H29FN4O.2C26H25FN4O.C23H22F4N4O2.2C23H29FN6O.C23H26FN5O/c1-3-19-8-11-24-15-22(9-12-23(24)14-19)17-33(2)28-27(29)25(31-18-32-28)13-10-20-4-6-21(7-5-20)16-26(30)34;1-31(16-21-7-4-6-20-5-2-3-8-22(20)21)26-25(27)23(29-17-30-26)14-13-18-9-11-19(12-10-18)15-24(28)32;1-31(16-20-10-12-21-4-2-3-5-22(21)14-20)26-25(27)23(29-17-30-26)13-11-18-6-8-19(9-7-18)15-24(28)32;1-31(13-17-4-2-3-5-19(17)33-23(25,26)27)22-21(24)18(29-14-30-22)11-10-15-6-8-16(9-7-15)12-20(28)32;1-4-11-30-16-28(2)13-19(30)14-29(3)23-22(24)20(26-15-27-23)10-9-17-5-7-18(8-6-17)12-21(25)31;1-4-29(13-19-14-30(5-2)28-16(19)3)23-22(24)20(26-15-27-23)11-10-17-6-8-18(9-7-17)12-21(25)31;1-28-11-10-18(13-28)14-29(19-7-8-19)23-22(24)20(26-15-27-23)9-6-16-2-4-17(5-3-16)12-21(25)30/h4-9,11-12,14-15,18H,3,10,13,16-17H2,1-2H3,(H2,30,34);2-12,17H,13-16H2,1H3,(H2,28,32);2-10,12,14,17H,11,13,15-16H2,1H3,(H2,28,32);2-9,14H,10-13H2,1H3,(H2,28,32);5-8,13,15-16H,4,9-12,14H2,1-3H3,(H-,25,31);6-9,14-15H,4-5,10-13H2,1-3H3,(H2,25,31);2-5,10-11,13,15,19H,6-9,12,14H2,1H3,(H2,25,30)/p+1
InChIKeyOAXIMGDRFILXMS-UHFFFAOYSA-O
XLogP25.20
TPSA545.56 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds63
Heavy Atoms223
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003033.58
LogP ≤ 525.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide (CID 157362495) is 2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide is CCCn1c[n+](C)cc1CN(C)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.CCN(Cc1cn(CC)nc1C)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.CCc1ccc2cc(CN(C)c3ncnc(CCc4ccc(CC(N)=O)cc4)c3F)ccc2c1.CN(Cc1ccc2ccccc2c1)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.CN(Cc1cccc2ccccc12)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.CN(Cc1ccccc1OC(F)(F)F)c1ncnc(CCc2ccc(CC(N)=O)cc2)c1F.Cn1ccc(CN(c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)C2CC2)c1.
What is the InChIKey of 2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide?
The InChIKey is OAXIMGDRFILXMS-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H29FN4O.2C26H25FN4O.C23H22F4N4O2.2C23H29FN6O.C23H26FN5O/c1-3-19-8-11-24-15-22(9-12-23(24)14-19)17-33(2)28-27(29)25(31-18-32-28)13-10-20-4-6-21(7-5-20)16-26(30)34;1-31(16-21-7-4-6-20-5-2-3-8-22(20)21)26-25(27)23(29-17-30-26)14-13-18-9-11-19(12-10-18)15-24(28)32;1-31(16-20-10-12-21-4-2-3-5-22(21)14-20)26-25(27)23(29-17-30-26)13-11-18-6-8-19(9-7-18)15-24(28)32;1-31(13-17-4-2-3-5-19(17)33-23(25,26)27)22-21(24)18(29-14-30-22)11-10-15-6-8-16(9-7-15)12-20(28)32;1-4-11-30-16-28(2)13-19(30)14-29(3)23-22(24)20(26-15-27-23)10-9-17-5-7-18(8-6-17)12-21(25)31;1-4-29(13-19-14-30(5-2)28-16(19)3)23-22(24)20(26-15-27-23)11-10-17-6-8-18(9-7-17)12-21(25)31;1-28-11-10-18(13-28)14-29(19-7-8-19)23-22(24)20(26-15-27-23)9-6-16-2-4-17(5-3-16)12-21(25)30/h4-9,11-12,14-15,18H,3,10,13,16-17H2,1-2H3,(H2,30,34);2-12,17H,13-16H2,1H3,(H2,28,32);2-10,12,14,17H,11,13,15-16H2,1H3,(H2,28,32);2-9,14H,10-13H2,1H3,(H2,28,32);5-8,13,15-16H,4,9-12,14H2,1-3H3,(H-,25,31);6-9,14-15H,4-5,10-13H2,1-3H3,(H2,25,31);2-5,10-11,13,15,19H,6-9,12,14H2,1H3,(H2,25,30)/p+1.
What are the key properties of 2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide?
2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 3033.58 g/mol, XLogP of 25.20, 63 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[6-[cyclopropyl-[(1-methylpyrrol-3-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[(6-ethylnaphthalen-2-yl)methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[(1-methyl-3-propylimidazol-1-ium-4-yl)methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-1-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(naphthalen-2-ylmethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 157362495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).