1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one

C131H134F7N35O13 — CID 160572269

About 1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one

1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one (PubChem CID 160572269) has the molecular formula C131H134F7N35O13 and a molecular weight of 2539.73 g/mol. Its IUPAC name is 1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one.

Molecular Properties

• Compound Name: 1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one
• PubChem CID: 160572269
• Molecular Formula: C131H134F7N35O13
• Molecular Weight: 2539.73 g/mol
• Exact Mass: 2538.08
• IUPAC Name: 1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one
• SMILES: C=CC(=O)Cc1cc(C)ccc1Nc1nc(Nc2cc(OC)ncn2)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(Nc2ccc(F)c(OC)n2)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(Nc2nc(OC)ncc2C(F)(F)F)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(Nc2nc(OC)ncc2C)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(Nc2nc(OC)ncc2OC)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(Nc2ncc(C(F)(F)F)c(OC)n2)ncc1C
• InChI: InChI=1S/2C22H21F3N6O2.C22H22FN5O2.C22H24N6O3.C22H24N6O2.C21H22N6O2/c1-5-15(32)9-14-8-12(2)6-7-17(14)28-18-13(3)10-26-20(29-18)31-21-27-11-16(22(23,24)25)19(30-21)33-4;1-5-15(32)9-14-8-12(2)6-7-17(14)28-18-13(3)10-26-20(29-18)30-19-16(22(23,24)25)11-27-21(31-19)33-4;1-5-16(29)11-15-10-13(2)6-8-18(15)25-20-14(3)12-24-22(28-20)27-19-9-7-17(23)21(26-19)30-4;1-6-16(29)10-15-9-13(2)7-8-17(15)25-19-14(3)11-23-21(26-19)27-20-18(30-4)12-24-22(28-20)31-5;1-6-17(29)10-16-9-13(2)7-8-18(16)25-19-14(3)11-23-21(26-19)27-20-15(4)12-24-22(28-20)30-5;1-5-16(28)9-15-8-13(2)6-7-17(15)25-20-14(3)11-22-21(27-20)26-18-10-19(29-4)24-12-23-18/h2*5-8,10-11H,1,9H2,2-4H3,(H2,26,27,28,29,30,31);5-10,12H,1,11H2,2-4H3,(H2,24,25,26,27,28);6-9,11-12H,1,10H2,2-5H3,(H2,23,24,25,26,27,28);6-9,11-12H,1,10H2,2-5H3,(H2,23,24,25,26,27,28);5-8,10-12H,1,9H2,2-4H3,(H2,22,23,24,25,26,27)
• InChIKey: RARXPNVBAPZKPV-UHFFFAOYSA-N
• XLogP: 25.16
• TPSA: 607.86 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 48
• Rotatable Bonds: 49
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2539.73
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one?

The IUPAC name of 1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one (CID 160572269) is 1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one.

What is the SMILES notation for 1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one?

The canonical SMILES for 1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one is C=CC(=O)Cc1cc(C)ccc1Nc1nc(Nc2cc(OC)ncn2)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(Nc2ccc(F)c(OC)n2)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(Nc2nc(OC)ncc2C(F)(F)F)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(Nc2nc(OC)ncc2C)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(Nc2nc(OC)ncc2OC)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(Nc2ncc(C(F)(F)F)c(OC)n2)ncc1C.

What is the InChIKey of 1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one?

The InChIKey is RARXPNVBAPZKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21F3N6O2.C22H22FN5O2.C22H24N6O3.C22H24N6O2.C21H22N6O2/c1-5-15(32)9-14-8-12(2)6-7-17(14)28-18-13(3)10-26-20(29-18)31-21-27-11-16(22(23,24)25)19(30-21)33-4;1-5-15(32)9-14-8-12(2)6-7-17(14)28-18-13(3)10-26-20(29-18)30-19-16(22(23,24)25)11-27-21(31-19)33-4;1-5-16(29)11-15-10-13(2)6-8-18(15)25-20-14(3)12-24-22(28-20)27-19-9-7-17(23)21(26-19)30-4;1-6-16(29)10-15-9-13(2)7-8-17(15)25-19-14(3)11-23-21(26-19)27-20-18(30-4)12-24-22(28-20)31-5;1-6-17(29)10-16-9-13(2)7-8-18(16)25-19-14(3)11-23-21(26-19)27-20-15(4)12-24-22(28-20)30-5;1-5-16(28)9-15-8-13(2)6-7-17(15)25-20-14(3)11-22-21(27-20)26-18-10-19(29-4)24-12-23-18/h2*5-8,10-11H,1,9H2,2-4H3,(H2,26,27,28,29,30,31);5-10,12H,1,11H2,2-4H3,(H2,24,25,26,27,28);6-9,11-12H,1,10H2,2-5H3,(H2,23,24,25,26,27,28);6-9,11-12H,1,10H2,2-5H3,(H2,23,24,25,26,27,28);5-8,10-12H,1,9H2,2-4H3,(H2,22,23,24,25,26,27).

What are the key properties of 1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one?

1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one has a molecular weight of 2539.73 g/mol, XLogP of 25.16, 49 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[2-[(2,5-dimethoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(5-fluoro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2-methoxy-5-methylpyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(6-methoxypyrimidin-4-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[2-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one is sourced from PubChem (CID 160572269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).