7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine

C135H150F6N26O15 — CID 158704294

About 7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine

7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine (PubChem CID 158704294) has the molecular formula C135H150F6N26O15 and a molecular weight of 2490.84 g/mol. Its IUPAC name is 7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine.

Molecular Properties

• Compound Name: 7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine
• PubChem CID: 158704294
• Molecular Formula: C135H150F6N26O15
• Molecular Weight: 2490.84 g/mol
• Exact Mass: 2489.17
• IUPAC Name: 7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)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(Nc4cc(N5CCOCC5)cc(C(F)(F)F)c4)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Nc4ccc(CCCN5CCOCC5)cc4)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Nc4ccc(N)c(OC)c4)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3ccccc3C)Cc3cnc(Nc4cc(N5CCN(C)CC5)cc(C(F)(F)F)c4)nc32)c(OC)c1
• InChI: InChI=1S/C35H40N6O4.C33H34F3N7O3.C33H33F3N6O4.C29H30N6O4.C5H13N/c1-24-7-5-8-25(2)32(24)40-23-27-22-36-34(37-28-12-10-26(11-13-28)9-6-16-39-17-19-45-20-18-39)38-33(27)41(35(40)42)30-15-14-29(43-3)21-31(30)44-4;1-21-7-5-6-8-27(21)42-20-22-19-37-31(39-30(22)43(32(42)44)28-10-9-26(45-3)18-29(28)46-4)38-24-15-23(33(34,35)36)16-25(17-24)41-13-11-40(2)12-14-41;1-20-6-5-7-21(2)29(20)41-19-22-18-37-31(39-30(22)42(32(41)43)27-9-8-26(44-3)17-28(27)45-4)38-24-14-23(33(34,35)36)15-25(16-24)40-10-12-46-13-11-40;1-17-7-6-8-18(2)26(17)34-16-19-15-31-28(32-20-9-11-22(30)24(13-20)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/h5,7-8,10-15,21-22H,6,9,16-20,23H2,1-4H3,(H,36,37,38);5-10,15-19H,11-14,20H2,1-4H3,(H,37,38,39);5-9,14-18H,10-13,19H2,1-4H3,(H,37,38,39);6-15H,16,30H2,1-5H3,(H,31,32,33);4-5H2,1-3H3
• InChIKey: IHXRGPXYBFYWFG-UHFFFAOYSA-N
• XLogP: 26.66
• TPSA: 389.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2490.84
LogP ≤ 5	26.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine?

The IUPAC name of 7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine (CID 158704294) is 7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine.

What is the SMILES notation for 7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine?

The canonical SMILES for 7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)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(Nc4cc(N5CCOCC5)cc(C(F)(F)F)c4)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Nc4ccc(CCCN5CCOCC5)cc4)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Nc4ccc(N)c(OC)c4)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3ccccc3C)Cc3cnc(Nc4cc(N5CCN(C)CC5)cc(C(F)(F)F)c4)nc32)c(OC)c1.

What is the InChIKey of 7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine?

The InChIKey is IHXRGPXYBFYWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N6O4.C33H34F3N7O3.C33H33F3N6O4.C29H30N6O4.C5H13N/c1-24-7-5-8-25(2)32(24)40-23-27-22-36-34(37-28-12-10-26(11-13-28)9-6-16-39-17-19-45-20-18-39)38-33(27)41(35(40)42)30-15-14-29(43-3)21-31(30)44-4;1-21-7-5-6-8-27(21)42-20-22-19-37-31(39-30(22)43(32(42)44)28-10-9-26(45-3)18-29(28)46-4)38-24-15-23(33(34,35)36)16-25(17-24)41-13-11-40(2)12-14-41;1-20-6-5-7-21(2)29(20)41-19-22-18-37-31(39-30(22)42(32(41)43)27-9-8-26(44-3)17-28(27)45-4)38-24-14-23(33(34,35)36)15-25(16-24)40-10-12-46-13-11-40;1-17-7-6-8-18(2)26(17)34-16-19-15-31-28(32-20-9-11-22(30)24(13-20)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/h5,7-8,10-15,21-22H,6,9,16-20,23H2,1-4H3,(H,36,37,38);5-10,15-19H,11-14,20H2,1-4H3,(H,37,38,39);5-9,14-18H,10-13,19H2,1-4H3,(H,37,38,39);6-15H,16,30H2,1-5H3,(H,31,32,33);4-5H2,1-3H3.

What are the key properties of 7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine?

7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine has a molecular weight of 2490.84 g/mol, XLogP of 26.66, 33 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-amino-3-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-[4-(3-morpholin-4-ylpropyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[3-morpholin-4-yl-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one;N-ethyl-N-methylethanamine is sourced from PubChem (CID 158704294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).