2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide

C70H62Cl6N14O11 — CID 158421907

About 2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide

2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 158421907) has the molecular formula C70H62Cl6N14O11 and a molecular weight of 1488.07 g/mol. Its IUPAC name is 2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide
• PubChem CID: 158421907
• Molecular Formula: C70H62Cl6N14O11
• Molecular Weight: 1488.07 g/mol
• Exact Mass: 1484.29
• IUPAC Name: 2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide
• SMILES: COc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(C(=O)CN)c1.COc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(C(=O)CNC(=O)C(C)(C)C)c1.COc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(C(=O)O)c1
• InChI: InChI=1S/C27H27Cl2N5O4.C22H19Cl2N5O3.C21H16Cl2N4O4/c1-27(2,3)25(36)31-14-19(35)16-12-15(37-4)13-20(38-5)21(16)23-24(34-11-7-10-30-26(34)33-23)32-22-17(28)8-6-9-18(22)29;1-31-12-9-13(16(30)11-25)18(17(10-12)32-2)20-21(29-8-4-7-26-22(29)28-20)27-19-14(23)5-3-6-15(19)24;1-30-11-9-12(20(28)29)16(15(10-11)31-2)18-19(27-8-4-7-24-21(27)26-18)25-17-13(22)5-3-6-14(17)23/h6-13,32H,14H2,1-5H3,(H,31,36);3-10,27H,11,25H2,1-2H3;3-10,25H,1-2H3,(H,28,29)
• InChIKey: HAOXNDZDWSZBFZ-UHFFFAOYSA-N
• XLogP: 15.58
• TPSA: 308.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1488.07
LogP ≤ 5	15.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide?

The IUPAC name of 2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide (CID 158421907) is 2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide.

What is the SMILES notation for 2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide?

The canonical SMILES for 2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide is COc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(C(=O)CN)c1.COc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(C(=O)CNC(=O)C(C)(C)C)c1.COc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(C(=O)O)c1.

What is the InChIKey of 2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide?

The InChIKey is HAOXNDZDWSZBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N5O4.C22H19Cl2N5O3.C21H16Cl2N4O4/c1-27(2,3)25(36)31-14-19(35)16-12-15(37-4)13-20(38-5)21(16)23-24(34-11-7-10-30-26(34)33-23)32-22-17(28)8-6-9-18(22)29;1-31-12-9-13(16(30)11-25)18(17(10-12)32-2)20-21(29-8-4-7-26-22(29)28-20)27-19-14(23)5-3-6-15(19)24;1-30-11-9-12(20(28)29)16(15(10-11)31-2)18-19(27-8-4-7-24-21(27)26-18)25-17-13(22)5-3-6-14(17)23/h6-13,32H,14H2,1-5H3,(H,31,36);3-10,27H,11,25H2,1-2H3;3-10,25H,1-2H3,(H,28,29).

What are the key properties of 2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide?

2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 1488.07 g/mol, XLogP of 15.58, 21 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]ethanone;2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxybenzoic acid;N-[2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 158421907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).