N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride

C84H93Cl7N16O13 — CID 161368664

About N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride

N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride (PubChem CID 161368664) has the molecular formula C84H93Cl7N16O13 and a molecular weight of 1782.94 g/mol. Its IUPAC name is N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride
• PubChem CID: 161368664
• Molecular Formula: C84H93Cl7N16O13
• Molecular Weight: 1782.94 g/mol
• Exact Mass: 1778.49
• IUPAC Name: N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1ccccc1Cc1cc(N(C)C(=O)Cc2c(Cl)c(OC)cc(OC)c2Cl)ncn1.CCN1CCN(c2ccc(Cc3cc(N(C)C(=O)Cc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)c(N)c2)CC1.CCN1CCN(c2ccc(Cc3cc(N(C)C(=O)Cc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)c([N+](=O)[O-])c2)CC1
• InChI: InChI=1S/C28H32Cl2N6O5.C28H34Cl2N6O3.C25H24Cl2N4O4.C3H3ClO/c1-5-34-8-10-35(11-9-34)20-7-6-18(22(14-20)36(38)39)12-19-13-25(32-17-31-19)33(2)26(37)15-21-27(29)23(40-3)16-24(41-4)28(21)30;1-5-35-8-10-36(11-9-35)20-7-6-18(22(31)14-20)12-19-13-25(33-17-32-19)34(2)26(37)15-21-27(29)23(38-3)16-24(39-4)28(21)30;1-5-22(32)30-18-9-7-6-8-15(18)10-16-11-21(29-14-28-16)31(2)23(33)12-17-24(26)19(34-3)13-20(35-4)25(17)27;1-2-3(4)5/h6-7,13-14,16-17H,5,8-12,15H2,1-4H3;6-7,13-14,16-17H,5,8-12,15,31H2,1-4H3;5-9,11,13-14H,1,10,12H2,2-4H3,(H,30,32);2H,1H2
• InChIKey: VQEBBGBWPFABPM-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 321.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1782.94
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride?

The IUPAC name of N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride (CID 161368664) is N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride.

What is the SMILES notation for N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride?

The canonical SMILES for N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1ccccc1Cc1cc(N(C)C(=O)Cc2c(Cl)c(OC)cc(OC)c2Cl)ncn1.CCN1CCN(c2ccc(Cc3cc(N(C)C(=O)Cc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)c(N)c2)CC1.CCN1CCN(c2ccc(Cc3cc(N(C)C(=O)Cc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)c([N+](=O)[O-])c2)CC1.

What is the InChIKey of N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride?

The InChIKey is VQEBBGBWPFABPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N6O5.C28H34Cl2N6O3.C25H24Cl2N4O4.C3H3ClO/c1-5-34-8-10-35(11-9-34)20-7-6-18(22(14-20)36(38)39)12-19-13-25(32-17-31-19)33(2)26(37)15-21-27(29)23(40-3)16-24(41-4)28(21)30;1-5-35-8-10-36(11-9-35)20-7-6-18(22(31)14-20)12-19-13-25(33-17-32-19)34(2)26(37)15-21-27(29)23(38-3)16-24(39-4)28(21)30;1-5-22(32)30-18-9-7-6-8-15(18)10-16-11-21(29-14-28-16)31(2)23(33)12-17-24(26)19(34-3)13-20(35-4)25(17)27;1-2-3(4)5/h6-7,13-14,16-17H,5,8-12,15H2,1-4H3;6-7,13-14,16-17H,5,8-12,15,31H2,1-4H3;5-9,11,13-14H,1,10,12H2,2-4H3,(H,30,32);2H,1H2.

What are the key properties of N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride?

N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride has a molecular weight of 1782.94 g/mol, XLogP of 14.63, 29 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[2-amino-4-(4-ethylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]methyl]pyrimidin-4-yl]-N-methylacetamide;prop-2-enoyl chloride is sourced from PubChem (CID 161368664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).