6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C121H140F15N27O9 — CID 159915025

About 6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 159915025) has the molecular formula C121H140F15N27O9 and a molecular weight of 2401.60 g/mol. Its IUPAC name is 6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
• PubChem CID: 159915025
• Molecular Formula: C121H140F15N27O9
• Molecular Weight: 2401.60 g/mol
• Exact Mass: 2400.11
• IUPAC Name: 6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
• SMILES: CC(F)(F)Oc1ccc(C2COCCN2c2ncnc(NCc3ccc(Cc4nn[nH]n4)cc3)c2F)cc1.CC(F)(F)c1ccc(C2COCCN2c2ncnc(NCC3(C(N)=O)CCCC3)c2F)cc1.CC(F)(F)c1ccc(C2COCCN2c2ncnc(NCC3CCOCC3)c2F)cc1.CC1CC(c2ccc(C(C)(F)F)cc2)N(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C1.CN(C)C(=O)C1(CNc2ncnc(N3CCOCC3c3ccc(C(C)(F)F)cc3)c2F)CCCC1
• InChI: InChI=1S/C26H28F3N5O.C25H25F3N8O2.C25H32F3N5O2.C23H28F3N5O2.C22H27F3N4O2/c1-16-11-21(19-7-9-20(10-8-19)26(2,28)29)34(14-16)25-23(27)24(32-15-33-25)31-13-18-5-3-17(4-6-18)12-22(30)35;1-25(27,28)38-19-8-6-18(7-9-19)20-14-37-11-10-36(20)24-22(26)23(30-15-31-24)29-13-17-4-2-16(3-5-17)12-21-32-34-35-33-21;1-24(27,28)18-8-6-17(7-9-18)19-14-35-13-12-33(19)22-20(26)21(30-16-31-22)29-15-25(10-4-5-11-25)23(34)32(2)3;1-22(25,26)16-6-4-15(5-7-16)17-12-33-11-10-31(17)20-18(24)19(29-14-30-20)28-13-23(21(27)32)8-2-3-9-23;1-22(24,25)17-4-2-16(3-5-17)18-13-31-11-8-29(18)21-19(23)20(27-14-28-21)26-12-15-6-9-30-10-7-15/h3-10,15-16,21H,11-14H2,1-2H3,(H2,30,35)(H,31,32,33);2-9,15,20H,10-14H2,1H3,(H,29,30,31)(H,32,33,34,35);6-9,16,19H,4-5,10-15H2,1-3H3,(H,29,30,31);4-7,14,17H,2-3,8-13H2,1H3,(H2,27,32)(H,28,29,30);2-5,14-15,18H,6-13H2,1H3,(H,26,27,28)
• InChIKey: NXQXXPVHECUVAB-UHFFFAOYSA-N
• XLogP: 21.13
• TPSA: 421.58 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 37
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2401.60
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?

The IUPAC name of 6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 159915025) is 6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

What is the SMILES notation for 6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?

The canonical SMILES for 6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CC(F)(F)Oc1ccc(C2COCCN2c2ncnc(NCc3ccc(Cc4nn[nH]n4)cc3)c2F)cc1.CC(F)(F)c1ccc(C2COCCN2c2ncnc(NCC3(C(N)=O)CCCC3)c2F)cc1.CC(F)(F)c1ccc(C2COCCN2c2ncnc(NCC3CCOCC3)c2F)cc1.CC1CC(c2ccc(C(C)(F)F)cc2)N(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C1.CN(C)C(=O)C1(CNc2ncnc(N3CCOCC3c3ccc(C(C)(F)F)cc3)c2F)CCCC1.

What is the InChIKey of 6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?

The InChIKey is NXQXXPVHECUVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O.C25H25F3N8O2.C25H32F3N5O2.C23H28F3N5O2.C22H27F3N4O2/c1-16-11-21(19-7-9-20(10-8-19)26(2,28)29)34(14-16)25-23(27)24(32-15-33-25)31-13-18-5-3-17(4-6-18)12-22(30)35;1-25(27,28)38-19-8-6-18(7-9-19)20-14-37-11-10-36(20)24-22(26)23(30-15-31-24)29-13-17-4-2-16(3-5-17)12-21-32-34-35-33-21;1-24(27,28)18-8-6-17(7-9-18)19-14-35-13-12-33(19)22-20(26)21(30-16-31-22)29-15-25(10-4-5-11-25)23(34)32(2)3;1-22(25,26)16-6-4-15(5-7-16)17-12-33-11-10-31(17)20-18(24)19(29-14-30-20)28-13-23(21(27)32)8-2-3-9-23;1-22(24,25)17-4-2-16(3-5-17)18-13-31-11-8-29(18)21-19(23)20(27-14-28-21)26-12-15-6-9-30-10-7-15/h3-10,15-16,21H,11-14H2,1-2H3,(H2,30,35)(H,31,32,33);2-9,15,20H,10-14H2,1H3,(H,29,30,31)(H,32,33,34,35);6-9,16,19H,4-5,10-15H2,1-3H3,(H,29,30,31);4-7,14,17H,2-3,8-13H2,1H3,(H2,27,32)(H,28,29,30);2-5,14-15,18H,6-13H2,1H3,(H,26,27,28).

What are the key properties of 6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?

6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 2401.60 g/mol, XLogP of 21.13, 37 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoro-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]-4-methylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentane-1-carboxamide;1-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 159915025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).