tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride

C140H181Cl9N26O30Si3 — CID 159604898

About tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride

tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride (PubChem CID 159604898) has the molecular formula C140H181Cl9N26O30Si3 and a molecular weight of 3111.47 g/mol. Its IUPAC name is tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride
• PubChem CID: 159604898
• Molecular Formula: C140H181Cl9N26O30Si3
• Molecular Weight: 3111.47 g/mol
• Exact Mass: 3104.99
• IUPAC Name: tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1cc(N2CCOCC2)ccc1Cc1cc(N(C)C(=O)Cc2c(Cl)c(OC)cc(OC)c2Cl)ncn1.C=CC(=O)Nc1cc(N2CCOCC2)ccc1N(C(=O)OC(C)(C)C)c1cc(N(C)C(=O)N(COCC[Si](C)(C)C)c2c(Cl)c(OC)cc(OC)c2Cl)ncn1.COc1cc(OC)c(Cl)c(N(COCC[Si](C)(C)C)C(=O)N(C)c2cc(N(C(=O)OC(C)(C)C)c3ccc(N4CCOCC4)cc3N)ncn2)c1Cl.COc1cc(OC)c(Cl)c(N(COCC[Si](C)(C)C)C(=O)N(C)c2cc(N(C(=O)OC(C)(C)C)c3ccc(N4CCOCC4)cc3[N+](=O)[O-])ncn2)c1Cl
• InChI: InChI=1S/C38H51Cl2N7O8Si.C35H47Cl2N7O9Si.C35H49Cl2N7O7Si.C29H31Cl2N5O5.C3H3ClO/c1-11-32(48)43-26-20-25(45-14-16-53-17-15-45)12-13-27(26)47(37(50)55-38(2,3)4)31-22-30(41-23-42-31)44(5)36(49)46(24-54-18-19-56(8,9)10)35-33(39)28(51-6)21-29(52-7)34(35)40;1-35(2,3)53-34(46)43(24-11-10-23(18-25(24)44(47)48)41-12-14-51-15-13-41)29-20-28(38-21-39-29)40(4)33(45)42(22-52-16-17-54(7,8)9)32-30(36)26(49-5)19-27(50-6)31(32)37;1-35(2,3)51-34(46)44(25-11-10-23(18-24(25)38)42-12-14-49-15-13-42)29-20-28(39-21-40-29)41(4)33(45)43(22-50-16-17-52(7,8)9)32-30(36)26(47-5)19-27(48-6)31(32)37;1-5-26(37)34-22-14-20(36-8-10-41-11-9-36)7-6-18(22)12-19-13-25(33-17-32-19)35(2)27(38)15-21-28(30)23(39-3)16-24(40-4)29(21)31;1-2-3(4)5/h11-13,20-23H,1,14-19,24H2,2-10H3,(H,43,48);10-11,18-21H,12-17,22H2,1-9H3;10-11,18-21H,12-17,22,38H2,1-9H3;5-7,13-14,16-17H,1,8-12,15H2,2-4H3,(H,34,37);2H,1H2
• InChIKey: MLYMYZUTRADXAJ-UHFFFAOYSA-N
• XLogP: 29.37
• TPSA: 578.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 43
• Rotatable Bonds: 50
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3111.47
LogP ≤ 5	29.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride?

The IUPAC name of tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride (CID 159604898) is tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride.

What is the SMILES notation for tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride?

The canonical SMILES for tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cc(N2CCOCC2)ccc1Cc1cc(N(C)C(=O)Cc2c(Cl)c(OC)cc(OC)c2Cl)ncn1.C=CC(=O)Nc1cc(N2CCOCC2)ccc1N(C(=O)OC(C)(C)C)c1cc(N(C)C(=O)N(COCC[Si](C)(C)C)c2c(Cl)c(OC)cc(OC)c2Cl)ncn1.COc1cc(OC)c(Cl)c(N(COCC[Si](C)(C)C)C(=O)N(C)c2cc(N(C(=O)OC(C)(C)C)c3ccc(N4CCOCC4)cc3N)ncn2)c1Cl.COc1cc(OC)c(Cl)c(N(COCC[Si](C)(C)C)C(=O)N(C)c2cc(N(C(=O)OC(C)(C)C)c3ccc(N4CCOCC4)cc3[N+](=O)[O-])ncn2)c1Cl.

What is the InChIKey of tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride?

The InChIKey is MLYMYZUTRADXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51Cl2N7O8Si.C35H47Cl2N7O9Si.C35H49Cl2N7O7Si.C29H31Cl2N5O5.C3H3ClO/c1-11-32(48)43-26-20-25(45-14-16-53-17-15-45)12-13-27(26)47(37(50)55-38(2,3)4)31-22-30(41-23-42-31)44(5)36(49)46(24-54-18-19-56(8,9)10)35-33(39)28(51-6)21-29(52-7)34(35)40;1-35(2,3)53-34(46)43(24-11-10-23(18-25(24)44(47)48)41-12-14-51-15-13-41)29-20-28(38-21-39-29)40(4)33(45)42(22-52-16-17-54(7,8)9)32-30(36)26(49-5)19-27(50-6)31(32)37;1-35(2,3)51-34(46)44(25-11-10-23(18-24(25)38)42-12-14-49-15-13-42)29-20-28(39-21-40-29)41(4)33(45)43(22-50-16-17-52(7,8)9)32-30(36)26(47-5)19-27(48-6)31(32)37;1-5-26(37)34-22-14-20(36-8-10-41-11-9-36)7-6-18(22)12-19-13-25(33-17-32-19)35(2)27(38)15-21-28(30)23(39-3)16-24(40-4)29(21)31;1-2-3(4)5/h11-13,20-23H,1,14-19,24H2,2-10H3,(H,43,48);10-11,18-21H,12-17,22H2,1-9H3;10-11,18-21H,12-17,22,38H2,1-9H3;5-7,13-14,16-17H,1,8-12,15H2,2-4H3,(H,34,37);2H,1H2.

What are the key properties of tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride?

tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride has a molecular weight of 3111.47 g/mol, XLogP of 29.37, 50 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(2-amino-4-morpholin-4-ylphenyl)-N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;tert-butyl N-[6-[[(2,6-dichloro-3,5-dimethoxyphenyl)-(2-trimethylsilylethoxymethyl)carbamoyl]-methylamino]pyrimidin-4-yl]-N-[4-morpholin-4-yl-2-(prop-2-enoylamino)phenyl]carbamate;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]-5-morpholin-4-ylphenyl]prop-2-enamide;prop-2-enoyl chloride is sourced from PubChem (CID 159604898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).