2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide

C17H24N6O3 — CID 3550418

About 2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide

2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide (PubChem CID 3550418) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide
• PubChem CID: 3550418
• Molecular Formula: C17H24N6O3
• Molecular Weight: 360.42 g/mol
• Exact Mass: 360.19
• IUPAC Name: 2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide
• SMILES: Cn1c(=O)n(CC(N)=O)c(=O)c2c1nc1n2CCCN1C1CCCCC1
• InChI: InChI=1S/C17H24N6O3/c1-20-14-13(15(25)23(17(20)26)10-12(18)24)22-9-5-8-21(16(22)19-14)11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H2,18,24)
• InChIKey: SZNWIPFWMMBUIA-UHFFFAOYSA-N
• XLogP: -0.08
• TPSA: 108.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.42
LogP ≤ 5	-0.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide?

The IUPAC name of 2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide (CID 3550418) is 2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide.

What is the SMILES notation for 2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide?

The canonical SMILES for 2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide is Cn1c(=O)n(CC(N)=O)c(=O)c2c1nc1n2CCCN1C1CCCCC1.

What is the InChIKey of 2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide?

The InChIKey is SZNWIPFWMMBUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-20-14-13(15(25)23(17(20)26)10-12(18)24)22-9-5-8-21(16(22)19-14)11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H2,18,24).

What are the key properties of 2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide?

2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide has a molecular weight of 360.42 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 3550418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).