6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide

C23H30ClN5O3 — CID 143255699

About 6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide

6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 143255699) has the molecular formula C23H30ClN5O3 and a molecular weight of 459.98 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
• PubChem CID: 143255699
• Molecular Formula: C23H30ClN5O3
• Molecular Weight: 459.98 g/mol
• Exact Mass: 459.20
• IUPAC Name: 6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
• SMILES: CCOCCN(CCOC)C(=O)c1cn2c(-c3ccc(C)cc3Cl)c(CN)c(C)nc2n1
• InChI: InChI=1S/C23H30ClN5O3/c1-5-32-11-9-28(8-10-31-4)22(30)20-14-29-21(17-7-6-15(2)12-19(17)24)18(13-25)16(3)26-23(29)27-20/h6-7,12,14H,5,8-11,13,25H2,1-4H3
• InChIKey: QMJAOPKEUZAQHQ-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 94.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.98
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide?

The IUPAC name of 6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide (CID 143255699) is 6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide?

The canonical SMILES for 6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide is CCOCCN(CCOC)C(=O)c1cn2c(-c3ccc(C)cc3Cl)c(CN)c(C)nc2n1.

What is the InChIKey of 6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide?

The InChIKey is QMJAOPKEUZAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O3/c1-5-32-11-9-28(8-10-31-4)22(30)20-14-29-21(17-7-6-15(2)12-19(17)24)18(13-25)16(3)26-23(29)27-20/h6-7,12,14H,5,8-11,13,25H2,1-4H3.

What are the key properties of 6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide?

6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 459.98 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 143255699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).