3-(2-chloro-6-methylphenyl)-7-[[2-ethyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(oxan-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one

C132H146Cl2F2N24O10 — CID 158311992

About 3-(2-chloro-6-methylphenyl)-7-[[2-ethyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(oxan-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one

3-(2-chloro-6-methylphenyl)-7-[[2-ethyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(oxan-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one (PubChem CID 158311992) has the molecular formula C132H146Cl2F2N24O10 and a molecular weight of 2337.68 g/mol. Its IUPAC name is 3-(2-chloro-6-methylphenyl)-7-[[2-ethyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(oxan-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 3-(2-chloro-6-methylphenyl)-7-[[2-ethyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(oxan-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one
• PubChem CID: 158311992
• Molecular Formula: C132H146Cl2F2N24O10
• Molecular Weight: 2337.68 g/mol
• Exact Mass: 2335.10
• IUPAC Name: 3-(2-chloro-6-methylphenyl)-7-[[2-ethyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(oxan-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one
• SMILES: CCc1cc(C2CCN(C)CC2)ccc1Cc1ncc2c(n1)N(c1ccc(OC)cn1)C(=O)N(c1c(C)cccc1Cl)C2.COc1cc(C2CCN(C)CC2)ccc1Cc1ncc2c(n1)N(C1CCOCC1)C(=O)N(c1c(C)cccc1C)C2.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Cc4ccc(N5CCN(C)CC5)cc4F)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3c(C)cccc3Cl)Cc3cnc(Cc4ccc(N5CCN(C)CC5)cc4F)nc32)nc1
• InChI: InChI=1S/C34H37ClN6O2.C34H37FN6O3.C33H41N5O3.C31H31ClFN7O2/c1-5-23-17-25(24-13-15-39(3)16-14-24)9-10-26(23)18-30-36-19-27-21-40(32-22(2)7-6-8-29(32)35)34(42)41(33(27)38-30)31-12-11-28(43-4)20-37-31;1-22-7-6-8-23(2)32(22)40-21-25-20-36-31(17-24-9-10-26(18-28(24)35)39-15-13-38(3)14-16-39)37-33(25)41(34(40)42)29-12-11-27(43-4)19-30(29)44-5;1-22-6-5-7-23(2)31(22)37-21-27-20-34-30(35-32(27)38(33(37)39)28-12-16-41-17-13-28)19-26-9-8-25(18-29(26)40-4)24-10-14-36(3)15-11-24;1-20-5-4-6-25(32)29(20)39-19-22-17-34-27(36-30(22)40(31(39)41)28-10-9-24(42-3)18-35-28)15-21-7-8-23(16-26(21)33)38-13-11-37(2)12-14-38/h6-12,17,19-20,24H,5,13-16,18,21H2,1-4H3;6-12,18-20H,13-17,21H2,1-5H3;5-9,18,20,24,28H,10-17,19,21H2,1-4H3;4-10,16-18H,11-15,19H2,1-3H3
• InChIKey: GNUDSHLYRXXTJK-UHFFFAOYSA-N
• XLogP: 24.18
• TPSA: 297.92 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2337.68
LogP ≤ 5	24.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 3-(2-chloro-6-methylphenyl)-7-[[2-ethyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(oxan-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one (CID 158311992) is 3-(2-chloro-6-methylphenyl)-7-[[2-ethyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(oxan-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one.

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

The canonical SMILES for 3-(2-chloro-6-methylphenyl)-7-[[2-ethyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(oxan-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one is CCc1cc(C2CCN(C)CC2)ccc1Cc1ncc2c(n1)N(c1ccc(OC)cn1)C(=O)N(c1c(C)cccc1Cl)C2.COc1cc(C2CCN(C)CC2)ccc1Cc1ncc2c(n1)N(C1CCOCC1)C(=O)N(c1c(C)cccc1C)C2.COc1ccc(N2C(=O)N(c3c(C)cccc3C)Cc3cnc(Cc4ccc(N5CCN(C)CC5)cc4F)nc32)c(OC)c1.COc1ccc(N2C(=O)N(c3c(C)cccc3Cl)Cc3cnc(Cc4ccc(N5CCN(C)CC5)cc4F)nc32)nc1.

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

The InChIKey is GNUDSHLYRXXTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37ClN6O2.C34H37FN6O3.C33H41N5O3.C31H31ClFN7O2/c1-5-23-17-25(24-13-15-39(3)16-14-24)9-10-26(23)18-30-36-19-27-21-40(32-22(2)7-6-8-29(32)35)34(42)41(33(27)38-30)31-12-11-28(43-4)20-37-31;1-22-7-6-8-23(2)32(22)40-21-25-20-36-31(17-24-9-10-26(18-28(24)35)39-15-13-38(3)14-16-39)37-33(25)41(34(40)42)29-12-11-27(43-4)19-30(29)44-5;1-22-6-5-7-23(2)31(22)37-21-27-20-34-30(35-32(27)38(33(37)39)28-12-16-41-17-13-28)19-26-9-8-25(18-29(26)40-4)24-10-14-36(3)15-11-24;1-20-5-4-6-25(32)29(20)39-19-22-17-34-27(36-30(22)40(31(39)41)28-10-9-24(42-3)18-35-28)15-21-7-8-23(16-26(21)33)38-13-11-37(2)12-14-38/h6-12,17,19-20,24H,5,13-16,18,21H2,1-4H3;6-12,18-20H,13-17,21H2,1-5H3;5-9,18,20,24,28H,10-17,19,21H2,1-4H3;4-10,16-18H,11-15,19H2,1-3H3.

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

3-(2-chloro-6-methylphenyl)-7-[[2-ethyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(oxan-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 2337.68 g/mol, XLogP of 24.18, 26 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-6-methylphenyl)-7-[[2-ethyl-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-7-[[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2,6-dimethylphenyl)-7-[[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]methyl]-1-(oxan-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 158311992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).