N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide

C25H28Cl2N6O6 — CID 71590236

About N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide

N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide (PubChem CID 71590236) has the molecular formula C25H28Cl2N6O6 and a molecular weight of 579.44 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide
• PubChem CID: 71590236
• Molecular Formula: C25H28Cl2N6O6
• Molecular Weight: 579.44 g/mol
• Exact Mass: 578.14
• IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide
• SMILES: O=C(NCc1ccc(Cl)c(Cl)c1)c1nc2n(CC(=O)N3CCOCC3)cc(CN3CCOCC3)n2c(=O)c1O
• InChI: InChI=1S/C25H28Cl2N6O6/c26-18-2-1-16(11-19(18)27)12-28-23(36)21-22(35)24(37)33-17(13-30-3-7-38-8-4-30)14-32(25(33)29-21)15-20(34)31-5-9-39-10-6-31/h1-2,11,14,35H,3-10,12-13,15H2,(H,28,36)
• InChIKey: HXZVRTDPTWSANQ-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 130.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.44
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide?

The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide (CID 71590236) is N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide.

What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide?

The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1nc2n(CC(=O)N3CCOCC3)cc(CN3CCOCC3)n2c(=O)c1O.

What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide?

The InChIKey is HXZVRTDPTWSANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N6O6/c26-18-2-1-16(11-19(18)27)12-28-23(36)21-22(35)24(37)33-17(13-30-3-7-38-8-4-30)14-32(25(33)29-21)15-20(34)31-5-9-39-10-6-31/h1-2,11,14,35H,3-10,12-13,15H2,(H,28,36).

What are the key properties of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide?

N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 579.44 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(morpholin-4-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 71590236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).