[5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol

C19H19N3O2 — CID 24908641

About [5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol

[5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol (PubChem CID 24908641) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is [5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol.

Molecular Properties

• Compound Name: [5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
• PubChem CID: 24908641
• Molecular Formula: C19H19N3O2
• Molecular Weight: 321.38 g/mol
• Exact Mass: 321.15
• IUPAC Name: [5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
• SMILES: OCc1ccc(CN2CCc3nc(-c4ccccc4)ncc3C2)o1
• InChI: InChI=1S/C19H19N3O2/c23-13-17-7-6-16(24-17)12-22-9-8-18-15(11-22)10-20-19(21-18)14-4-2-1-3-5-14/h1-7,10,23H,8-9,11-13H2
• InChIKey: ZOJCIWIPIILHJW-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.38
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol?

The IUPAC name of [5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol (CID 24908641) is [5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol.

What is the SMILES notation for [5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol?

The canonical SMILES for [5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol is OCc1ccc(CN2CCc3nc(-c4ccccc4)ncc3C2)o1.

What is the InChIKey of [5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol?

The InChIKey is ZOJCIWIPIILHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-13-17-7-6-16(24-17)12-22-9-8-18-15(11-22)10-20-19(21-18)14-4-2-1-3-5-14/h1-7,10,23H,8-9,11-13H2.

What are the key properties of [5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol?

[5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol has a molecular weight of 321.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol is sourced from PubChem (CID 24908641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).