6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C21H23N3O2 — CID 135943361

About 6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943361) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135943361
• Molecular Formula: C21H23N3O2
• Molecular Weight: 349.43 g/mol
• Exact Mass: 349.18
• IUPAC Name: 6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CC(C)c1nc2c(c(=O)[nH]1)CN(Cc1ccc(-c3ccccc3)o1)CC2
• InChI: InChI=1S/C21H23N3O2/c1-14(2)20-22-18-10-11-24(13-17(18)21(25)23-20)12-16-8-9-19(26-16)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,22,23,25)
• InChIKey: MMGYGSKPZVHSNH-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 62.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.43
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943361) is 6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)c1nc2c(c(=O)[nH]1)CN(Cc1ccc(-c3ccccc3)o1)CC2.

What is the InChIKey of 6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is MMGYGSKPZVHSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(2)20-22-18-10-11-24(13-17(18)21(25)23-20)12-16-8-9-19(26-16)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,22,23,25).

What are the key properties of 6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 349.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).