5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide

C24H25N7O4 — CID 25138174

About 5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide

5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 25138174) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is 5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: 5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
• PubChem CID: 25138174
• Molecular Formula: C24H25N7O4
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.20
• IUPAC Name: 5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
• SMILES: COc1cc(Nc2nc(NCc3ccc(CC(N)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
• InChI: InChI=1S/C24H25N7O4/c1-34-17-10-16(11-18(12-17)35-2)29-22-20(21(26)33)23-27-7-8-31(23)24(30-22)28-13-15-5-3-14(4-6-15)9-19(25)32/h3-8,10-12,29H,9,13H2,1-2H3,(H2,25,32)(H2,26,33)(H,28,30)
• InChIKey: YZRJMIJZGFZGBK-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 158.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?

The IUPAC name of 5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (CID 25138174) is 5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.

What is the SMILES notation for 5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?

The canonical SMILES for 5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCc3ccc(CC(N)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1.

What is the InChIKey of 5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?

The InChIKey is YZRJMIJZGFZGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-34-17-10-16(11-18(12-17)35-2)29-22-20(21(26)33)23-27-7-8-31(23)24(30-22)28-13-15-5-3-14(4-6-15)9-19(25)32/h3-8,10-12,29H,9,13H2,1-2H3,(H2,25,32)(H2,26,33)(H,28,30).

What are the key properties of 5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?

5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 475.51 g/mol, XLogP of 2.23, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 25138174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).