1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one

C148H174N22O16 — CID 159062361

About 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one

1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one (PubChem CID 159062361) has the molecular formula C148H174N22O16 and a molecular weight of 2517.16 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one
• PubChem CID: 159062361
• Molecular Formula: C148H174N22O16
• Molecular Weight: 2517.16 g/mol
• Exact Mass: 2515.35
• IUPAC Name: 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one
• SMILES: COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Cc4ccc(C5CCN(C)CC5)cc4OC(C)C)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Cc4ccc(C5CCN(C)CC5)cc4OC)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Cc4ccc(CN5CCN(C)CC5)cc4OC(C)C)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Cc4ccc(CN5CCN(C)CC5)cc4OC)nc32)c(OC)c1
• InChI: InChI=1S/C38H46N6O4.C38H45N5O4.C36H42N6O4.C36H41N5O4/c1-25(2)48-33-19-28(23-42-17-15-41(5)16-18-42)11-12-29(33)20-35-39-22-30-24-43(36-26(3)9-8-10-27(36)4)38(45)44(37(30)40-35)32-14-13-31(46-6)21-34(32)47-7;1-24(2)47-33-19-28(27-15-17-41(5)18-16-27)11-12-29(33)20-35-39-22-30-23-42(36-25(3)9-8-10-26(36)4)38(44)43(37(30)40-35)32-14-13-31(45-6)21-34(32)46-7;1-24-8-7-9-25(2)34(24)41-23-28-21-37-33(38-35(28)42(36(41)43)30-13-12-29(44-4)20-32(30)46-6)19-27-11-10-26(18-31(27)45-5)22-40-16-14-39(3)15-17-40;1-23-8-7-9-24(2)34(23)40-22-28-21-37-33(19-27-11-10-26(18-31(27)44-5)25-14-16-39(3)17-15-25)38-35(28)41(36(40)42)30-13-12-29(43-4)20-32(30)45-6/h8-14,19,21-22,25H,15-18,20,23-24H2,1-7H3;8-14,19,21-22,24,27H,15-18,20,23H2,1-7H3;7-13,18,20-21H,14-17,19,22-23H2,1-6H3;7-13,18,20-21,25H,14-17,19,22H2,1-6H3
• InChIKey: JYPZNFORUYSTOA-UHFFFAOYSA-N
• XLogP: 26.62
• TPSA: 327.52 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 36
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2517.16
LogP ≤ 5	26.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one?

The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one (CID 159062361) is 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one.

What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one?

The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one is COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Cc4ccc(C5CCN(C)CC5)cc4OC(C)C)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Cc4ccc(C5CCN(C)CC5)cc4OC)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Cc4ccc(CN5CCN(C)CC5)cc4OC(C)C)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Cc4ccc(CN5CCN(C)CC5)cc4OC)nc32)c(OC)c1.

What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one?

The InChIKey is JYPZNFORUYSTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N6O4.C38H45N5O4.C36H42N6O4.C36H41N5O4/c1-25(2)48-33-19-28(23-42-17-15-41(5)16-18-42)11-12-29(33)20-35-39-22-30-24-43(36-26(3)9-8-10-27(36)4)38(45)44(37(30)40-35)32-14-13-31(46-6)21-34(32)47-7;1-24(2)47-33-19-28(27-15-17-41(5)18-16-27)11-12-29(33)20-35-39-22-30-23-42(36-25(3)9-8-10-26(36)4)38(44)43(37(30)40-35)32-14-13-31(45-6)21-34(32)46-7;1-24-8-7-9-25(2)34(24)41-23-28-21-37-33(38-35(28)42(36(41)43)30-13-12-29(44-4)20-32(30)46-6)19-27-11-10-26(18-31(27)45-5)22-40-16-14-39(3)15-17-40;1-23-8-7-9-24(2)34(23)40-22-28-21-37-33(19-27-11-10-26(18-31(27)44-5)25-14-16-39(3)17-15-25)38-35(28)41(36(40)42)30-13-12-29(43-4)20-32(30)45-6/h8-14,19,21-22,25H,15-18,20,23-24H2,1-7H3;8-14,19,21-22,24,27H,15-18,20,23H2,1-7H3;7-13,18,20-21H,14-17,19,22-23H2,1-6H3;7-13,18,20-21,25H,14-17,19,22H2,1-6H3.

What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one?

1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 2517.16 g/mol, XLogP of 26.62, 36 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 159062361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).