6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione

C18H22N6O4 — CID 162431069

About 6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione

6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (PubChem CID 162431069) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.

Molecular Properties

• Compound Name: 6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
• PubChem CID: 162431069
• Molecular Formula: C18H22N6O4
• Molecular Weight: 386.41 g/mol
• Exact Mass: 386.17
• IUPAC Name: 6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
• SMILES: Cc1cc(Nc2cc(NCCO)ncn2)c(=O)n2c1C(=O)NC21CCOCC1
• InChI: InChI=1S/C18H22N6O4/c1-11-8-12(22-14-9-13(19-4-5-25)20-10-21-14)17(27)24-15(11)16(26)23-18(24)2-6-28-7-3-18/h8-10,25H,2-7H2,1H3,(H,23,26)(H2,19,20,21,22)
• InChIKey: GWFLXHLVIRIUDI-UHFFFAOYSA-N
• XLogP: 0.30
• TPSA: 130.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.41
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?

The IUPAC name of 6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (CID 162431069) is 6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.

What is the SMILES notation for 6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?

The canonical SMILES for 6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is Cc1cc(Nc2cc(NCCO)ncn2)c(=O)n2c1C(=O)NC21CCOCC1.

What is the InChIKey of 6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?

The InChIKey is GWFLXHLVIRIUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4/c1-11-8-12(22-14-9-13(19-4-5-25)20-10-21-14)17(27)24-15(11)16(26)23-18(24)2-6-28-7-3-18/h8-10,25H,2-7H2,1H3,(H,23,26)(H2,19,20,21,22).

What are the key properties of 6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?

6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione has a molecular weight of 386.41 g/mol, XLogP of 0.30, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is sourced from PubChem (CID 162431069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).