N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

C141H164N32O10S — CID 159148000

About N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide (PubChem CID 159148000) has the molecular formula C141H164N32O10S and a molecular weight of 2499.14 g/mol. Its IUPAC name is N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• PubChem CID: 159148000
• Molecular Formula: C141H164N32O10S
• Molecular Weight: 2499.14 g/mol
• Exact Mass: 2497.30
• IUPAC Name: N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(C4CC5(C4)CN(C(C)=O)C5)cc3C)ncc2C)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(C4CCN(C)CC4)cc3C)ncc2C)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(C4CCN(S(C)(=O)=O)CC4)cc3C)ncc2C)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CC5(CN(C(C)=O)C5)C4)cc3C)ncc2C)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cc3C)ncc2C)c1
• InChI: InChI=1S/C30H37N7O2.C29H32N6O2.C28H31N7O2.C27H32N6O3S.C27H32N6O/c1-4-28(38)32-23-6-5-7-24(19-23)33-29-22(3)20-31-30(35-29)34-27-9-8-26(18-21(27)2)36-12-10-25(11-13-36)37-14-16-39-17-15-37;1-5-26(37)31-23-7-6-8-24(12-23)32-27-19(3)15-30-28(34-27)33-25-10-9-21(11-18(25)2)22-13-29(14-22)16-35(17-29)20(4)36;1-5-25(37)30-21-7-6-8-22(12-21)31-26-19(3)13-29-27(33-26)32-24-10-9-23(11-18(24)2)35-16-28(17-35)14-34(15-28)20(4)36;1-5-25(34)29-22-7-6-8-23(16-22)30-26-19(3)17-28-27(32-26)31-24-10-9-21(15-18(24)2)20-11-13-33(14-12-20)37(4,35)36;1-5-25(34)29-22-7-6-8-23(16-22)30-26-19(3)17-28-27(32-26)31-24-10-9-21(15-18(24)2)20-11-13-33(4)14-12-20/h4-9,18-20,25H,1,10-17H2,2-3H3,(H,32,38)(H2,31,33,34,35);5-12,15,22H,1,13-14,16-17H2,2-4H3,(H,31,37)(H2,30,32,33,34);5-13H,1,14-17H2,2-4H3,(H,30,37)(H2,29,31,32,33);5-10,15-17,20H,1,11-14H2,2-4H3,(H,29,34)(H2,28,30,31,32);5-10,15-17,20H,1,11-14H2,2-4H3,(H,29,34)(H2,28,30,31,32)
• InChIKey: KIXVBNBWIZDOQZ-UHFFFAOYSA-N
• XLogP: 25.17
• TPSA: 494.89 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 34
• Rotatable Bonds: 37
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2499.14
LogP ≤ 5	25.17
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The IUPAC name of N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide (CID 159148000) is N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

What is the SMILES notation for N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(C4CC5(C4)CN(C(C)=O)C5)cc3C)ncc2C)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(C4CCN(C)CC4)cc3C)ncc2C)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(C4CCN(S(C)(=O)=O)CC4)cc3C)ncc2C)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CC5(CN(C(C)=O)C5)C4)cc3C)ncc2C)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cc3C)ncc2C)c1.

What is the InChIKey of N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The InChIKey is KIXVBNBWIZDOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O2.C29H32N6O2.C28H31N7O2.C27H32N6O3S.C27H32N6O/c1-4-28(38)32-23-6-5-7-24(19-23)33-29-22(3)20-31-30(35-29)34-27-9-8-26(18-21(27)2)36-12-10-25(11-13-36)37-14-16-39-17-15-37;1-5-26(37)31-23-7-6-8-24(12-23)32-27-19(3)15-30-28(34-27)33-25-10-9-21(11-18(25)2)22-13-29(14-22)16-35(17-29)20(4)36;1-5-25(37)30-21-7-6-8-22(12-21)31-26-19(3)13-29-27(33-26)32-24-10-9-23(11-18(24)2)35-16-28(17-35)14-34(15-28)20(4)36;1-5-25(34)29-22-7-6-8-23(16-22)30-26-19(3)17-28-27(32-26)31-24-10-9-21(15-18(24)2)20-11-13-33(14-12-20)37(4,35)36;1-5-25(34)29-22-7-6-8-23(16-22)30-26-19(3)17-28-27(32-26)31-24-10-9-21(15-18(24)2)20-11-13-33(4)14-12-20/h4-9,18-20,25H,1,10-17H2,2-3H3,(H,32,38)(H2,31,33,34,35);5-12,15,22H,1,13-14,16-17H2,2-4H3,(H,31,37)(H2,30,32,33,34);5-13H,1,14-17H2,2-4H3,(H,30,37)(H2,29,31,32,33);5-10,15-17,20H,1,11-14H2,2-4H3,(H,29,34)(H2,28,30,31,32);5-10,15-17,20H,1,11-14H2,2-4H3,(H,29,34)(H2,28,30,31,32).

What are the key properties of N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide has a molecular weight of 2499.14 g/mol, XLogP of 25.17, 37 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-2-methylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-methyl-2-[2-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 159148000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).