6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

C20H27N9O2 — CID 70694721

About 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70694721) has the molecular formula C20H27N9O2 and a molecular weight of 425.50 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
• PubChem CID: 70694721
• Molecular Formula: C20H27N9O2
• Molecular Weight: 425.50 g/mol
• Exact Mass: 425.23
• IUPAC Name: 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
• SMILES: CN(C)CCCNC(=O)c1cn2cc(-c3cnc(N)nc3)nc(N3CCOCC3)c2n1
• InChI: InChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24)
• InChIKey: SFSPGHQPOKAPPP-UHFFFAOYSA-N
• XLogP: 0.29
• TPSA: 126.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.50
LogP ≤ 5	0.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?

The IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 70694721) is 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?

The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is CN(C)CCCNC(=O)c1cn2cc(-c3cnc(N)nc3)nc(N3CCOCC3)c2n1.

What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?

The InChIKey is SFSPGHQPOKAPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24).

What are the key properties of 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?

6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-aminopyrimidin-5-yl)-N-[3-(dimethylamino)propyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70694721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).