6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide

C19H16Cl2N6O2 — CID 46899754

About 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide

6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 46899754) has the molecular formula C19H16Cl2N6O2 and a molecular weight of 431.28 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
• PubChem CID: 46899754
• Molecular Formula: C19H16Cl2N6O2
• Molecular Weight: 431.28 g/mol
• Exact Mass: 430.07
• IUPAC Name: 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
• SMILES: Cc1nc2nc(C(=O)NCc3ncco3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
• InChI: InChI=1S/C19H16Cl2N6O2/c1-10-13(7-22)17(12-3-2-11(20)6-14(12)21)27-9-15(26-19(27)25-10)18(28)24-8-16-23-4-5-29-16/h2-6,9H,7-8,22H2,1H3,(H,24,28)
• InChIKey: HGJBPTYSVMUIKF-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 111.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.28
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?

The IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 46899754) is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?

The canonical SMILES for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide is Cc1nc2nc(C(=O)NCc3ncco3)cn2c(-c2ccc(Cl)cc2Cl)c1CN.

What is the InChIKey of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?

The InChIKey is HGJBPTYSVMUIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N6O2/c1-10-13(7-22)17(12-3-2-11(20)6-14(12)21)27-9-15(26-19(27)25-10)18(28)24-8-16-23-4-5-29-16/h2-6,9H,7-8,22H2,1H3,(H,24,28).

What are the key properties of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?

6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 431.28 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1,3-oxazol-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46899754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).