3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione

C28H30N10O4 — CID 160750705

About 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione

3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 160750705) has the molecular formula C28H30N10O4 and a molecular weight of 570.61 g/mol. Its IUPAC name is 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

• Compound Name: 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
• PubChem CID: 160750705
• Molecular Formula: C28H30N10O4
• Molecular Weight: 570.61 g/mol
• Exact Mass: 570.25
• IUPAC Name: 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
• SMILES: Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C.Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
• InChI: InChI=1S/2C14H15N5O2/c2*1-8-6-9(17-10-4-5-15-7-16-10)13(21)19-11(8)12(20)18-14(19,2)3/h2*4-7H,1-3H3,(H,18,20)(H,15,16,17)
• InChIKey: RWTXKRVNBYZBRG-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 177.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.61
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?

The IUPAC name of 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 160750705) is 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.

What is the SMILES notation for 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?

The canonical SMILES for 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C.Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C.

What is the InChIKey of 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?

The InChIKey is RWTXKRVNBYZBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H15N5O2/c2*1-8-6-9(17-10-4-5-15-7-16-10)13(21)19-11(8)12(20)18-14(19,2)3/h2*4-7H,1-3H3,(H,18,20)(H,15,16,17).

What are the key properties of 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?

3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 570.61 g/mol, XLogP of 2.25, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 160750705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).