7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione

C23H29N5O4 — CID 74609715

About 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione

7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione (PubChem CID 74609715) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione.

Molecular Properties

• Compound Name: 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
• PubChem CID: 74609715
• Molecular Formula: C23H29N5O4
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.22
• IUPAC Name: 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
• SMILES: CC(C)NC1=NC2C(C(=O)N(C)C(=O)N2C)N1CC(O)COc1ccc2ccccc2c1
• InChI: InChI=1S/C23H29N5O4/c1-14(2)24-22-25-20-19(21(30)27(4)23(31)26(20)3)28(22)12-17(29)13-32-18-10-9-15-7-5-6-8-16(15)11-18/h5-11,14,17,19-20,29H,12-13H2,1-4H3,(H,24,25)
• InChIKey: GLALBKFJAVSZIS-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 97.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione?

The IUPAC name of 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione (CID 74609715) is 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione.

What is the SMILES notation for 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione?

The canonical SMILES for 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione is CC(C)NC1=NC2C(C(=O)N(C)C(=O)N2C)N1CC(O)COc1ccc2ccccc2c1.

What is the InChIKey of 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione?

The InChIKey is GLALBKFJAVSZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-14(2)24-22-25-20-19(21(30)27(4)23(31)26(20)3)28(22)12-17(29)13-32-18-10-9-15-7-5-6-8-16(15)11-18/h5-11,14,17,19-20,29H,12-13H2,1-4H3,(H,24,25).

What are the key properties of 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione?

7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione has a molecular weight of 439.52 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 74609715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).