4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid

C21H19Cl2F3N6O4 — CID 46900422

About 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid

4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 46900422) has the molecular formula C21H19Cl2F3N6O4 and a molecular weight of 547.32 g/mol. Its IUPAC name is 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid
• PubChem CID: 46900422
• Molecular Formula: C21H19Cl2F3N6O4
• Molecular Weight: 547.32 g/mol
• Exact Mass: 546.08
• IUPAC Name: 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid
• SMILES: Cc1nc2nc(C(=O)N3CCNC(=O)C3)cn2c(-c2ccc(Cl)cc2Cl)c1CN.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H18Cl2N6O2.C2HF3O2/c1-10-13(7-22)17(12-3-2-11(20)6-14(12)21)27-8-15(25-19(27)24-10)18(29)26-5-4-23-16(28)9-26;3-2(4,5)1(6)7/h2-3,6,8H,4-5,7,9,22H2,1H3,(H,23,28);(H,6,7)
• InChIKey: RJZKMOKXGNIUBS-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 142.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.32
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid?

The IUPAC name of 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid (CID 46900422) is 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid?

The canonical SMILES for 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid is Cc1nc2nc(C(=O)N3CCNC(=O)C3)cn2c(-c2ccc(Cl)cc2Cl)c1CN.O=C(O)C(F)(F)F.

What is the InChIKey of 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid?

The InChIKey is RJZKMOKXGNIUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6O2.C2HF3O2/c1-10-13(7-22)17(12-3-2-11(20)6-14(12)21)27-8-15(25-19(27)24-10)18(29)26-5-4-23-16(28)9-26;3-2(4,5)1(6)7/h2-3,6,8H,4-5,7,9,22H2,1H3,(H,23,28);(H,6,7).

What are the key properties of 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid?

4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 547.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46900422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).