N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide

C20H24N8O3 — CID 57387875

About N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide

N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide (PubChem CID 57387875) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide
• PubChem CID: 57387875
• Molecular Formula: C20H24N8O3
• Molecular Weight: 424.47 g/mol
• Exact Mass: 424.20
• IUPAC Name: N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1
• InChI: InChI=1S/C20H24N8O3/c1-12(29)23-19-21-10-13(11-22-19)15-25-16(27-4-7-30-8-5-27)14-17(26-15)28-6-9-31-20(2,3)18(28)24-14/h10-11H,4-9H2,1-3H3,(H,21,22,23,29)
• InChIKey: GTKPFCZIGXALKJ-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 120.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.47
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide?

The IUPAC name of N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide (CID 57387875) is N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide.

What is the SMILES notation for N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide?

The canonical SMILES for N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide is CC(=O)Nc1ncc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1.

What is the InChIKey of N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide?

The InChIKey is GTKPFCZIGXALKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3/c1-12(29)23-19-21-10-13(11-22-19)15-25-16(27-4-7-30-8-5-27)14-17(26-15)28-6-9-31-20(2,3)18(28)24-14/h10-11H,4-9H2,1-3H3,(H,21,22,23,29).

What are the key properties of N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide?

N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide has a molecular weight of 424.47 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 57387875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).