8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

C17H24N6 — CID 134076046

About 8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (PubChem CID 134076046) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.

Molecular Properties

• Compound Name: 8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
• PubChem CID: 134076046
• Molecular Formula: C17H24N6
• Molecular Weight: 312.42 g/mol
• Exact Mass: 312.21
• IUPAC Name: 8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
• SMILES: Cc1cnc(N2Cc3nccn3CC(CN3CCCC3)C2)nc1
• InChI: InChI=1S/C17H24N6/c1-14-8-19-17(20-9-14)23-12-15(10-21-5-2-3-6-21)11-22-7-4-18-16(22)13-23/h4,7-9,15H,2-3,5-6,10-13H2,1H3
• InChIKey: PAQVHDOLPDYRID-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 50.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.42
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?

The IUPAC name of 8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (CID 134076046) is 8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.

What is the SMILES notation for 8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?

The canonical SMILES for 8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is Cc1cnc(N2Cc3nccn3CC(CN3CCCC3)C2)nc1.

What is the InChIKey of 8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?

The InChIKey is PAQVHDOLPDYRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-14-8-19-17(20-9-14)23-12-15(10-21-5-2-3-6-21)11-22-7-4-18-16(22)13-23/h4,7-9,15H,2-3,5-6,10-13H2,1H3.

What are the key properties of 8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?

8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine has a molecular weight of 312.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is sourced from PubChem (CID 134076046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).