7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine

C105H126N22O9 — CID 161147097

About 7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine

7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine (PubChem CID 161147097) has the molecular formula C105H126N22O9 and a molecular weight of 1840.31 g/mol. Its IUPAC name is 7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine.

Molecular Properties

• Compound Name: 7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine
• PubChem CID: 161147097
• Molecular Formula: C105H126N22O9
• Molecular Weight: 1840.31 g/mol
• Exact Mass: 1839.01
• IUPAC Name: 7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine
• SMILES: CCN(C)CC.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Cc4cc(N5CCCCC5)cc(N5CCN(C)CC5)c4)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Nc4ccc(CN5CCN(C)CC5)cc4)nc32)nc1.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Nc4ccc(N)cc4OC)nc32)c(OC)c1
• InChI: InChI=1S/C39H47N7O3.C32H36N8O2.C29H30N6O4.C5H13N/c1-27-10-9-11-28(2)37(27)45-26-30-25-40-36(41-38(30)46(39(45)47)34-13-12-33(48-4)24-35(34)49-5)22-29-20-31(43-14-7-6-8-15-43)23-32(21-29)44-18-16-42(3)17-19-44;1-22-6-5-7-23(2)29(22)39-21-25-18-34-31(36-30(25)40(32(39)41)28-13-12-27(42-4)19-33-28)35-26-10-8-24(9-11-26)20-38-16-14-37(3)15-17-38;1-17-7-6-8-18(2)26(17)34-16-19-15-31-28(32-22-11-9-20(30)13-24(22)38-4)33-27(19)35(29(34)36)23-12-10-21(37-3)14-25(23)39-5;1-4-6(3)5-2/h9-13,20-21,23-25H,6-8,14-19,22,26H2,1-5H3;5-13,18-19H,14-17,20-21H2,1-4H3,(H,34,35,36);6-15H,16,30H2,1-5H3,(H,31,32,33);4-5H2,1-3H3
• InChIKey: UOEVQKZERIAEKM-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 285.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.31
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine?

The IUPAC name of 7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine (CID 161147097) is 7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine.

What is the SMILES notation for 7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine?

The canonical SMILES for 7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine is CCN(C)CC.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Cc4cc(N5CCCCC5)cc(N5CCN(C)CC5)c4)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Nc4ccc(CN5CCN(C)CC5)cc4)nc32)nc1.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Nc4ccc(N)cc4OC)nc32)c(OC)c1.

What is the InChIKey of 7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine?

The InChIKey is UOEVQKZERIAEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47N7O3.C32H36N8O2.C29H30N6O4.C5H13N/c1-27-10-9-11-28(2)37(27)45-26-30-25-40-36(41-38(30)46(39(45)47)34-13-12-33(48-4)24-35(34)49-5)22-29-20-31(43-14-7-6-8-15-43)23-32(21-29)44-18-16-42(3)17-19-44;1-22-6-5-7-23(2)29(22)39-21-25-18-34-31(36-30(25)40(32(39)41)28-13-12-27(42-4)19-33-28)35-26-10-8-24(9-11-26)20-38-16-14-37(3)15-17-38;1-17-7-6-8-18(2)26(17)34-16-19-15-31-28(32-22-11-9-20(30)13-24(22)38-4)33-27(19)35(29(34)36)23-12-10-21(37-3)14-25(23)39-5;1-4-6(3)5-2/h9-13,20-21,23-25H,6-8,14-19,22,26H2,1-5H3;5-13,18-19H,14-17,20-21H2,1-4H3,(H,34,35,36);6-15H,16,30H2,1-5H3,(H,31,32,33);4-5H2,1-3H3.

What are the key properties of 7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine?

7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine has a molecular weight of 1840.31 g/mol, XLogP of 18.67, 24 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-amino-2-methoxyanilino)-1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[3-(4-methylpiperazin-1-yl)-5-piperidin-1-ylphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine is sourced from PubChem (CID 161147097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).