(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone

C15H23N5O — CID 136879160

About (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone

(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (PubChem CID 136879160) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.

Molecular Properties

• Compound Name: (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
• PubChem CID: 136879160
• Molecular Formula: C15H23N5O
• Molecular Weight: 289.38 g/mol
• Exact Mass: 289.19
• IUPAC Name: (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
• SMILES: CN1C2CCC1CN(C(=O)c1cn3c(n1)NCCC3)CC2
• InChI: InChI=1S/C15H23N5O/c1-18-11-3-4-12(18)9-19(8-5-11)14(21)13-10-20-7-2-6-16-15(20)17-13/h10-12H,2-9H2,1H3,(H,16,17)
• InChIKey: FQEDCAXHGQRHBG-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.38
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?

The IUPAC name of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (CID 136879160) is (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.

What is the SMILES notation for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?

The canonical SMILES for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is CN1C2CCC1CN(C(=O)c1cn3c(n1)NCCC3)CC2.

What is the InChIKey of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?

The InChIKey is FQEDCAXHGQRHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-18-11-3-4-12(18)9-19(8-5-11)14(21)13-10-20-7-2-6-16-15(20)17-13/h10-12H,2-9H2,1H3,(H,16,17).

What are the key properties of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?

(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 136879160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).