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

C24H27N3O2 — CID 135943376

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

2-cyclohexyl-6-[(5-phenylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943376) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-cyclohexyl-6-[(5-phenylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-cyclohexyl-6-[(5-phenylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135943376
• Molecular Formula: C24H27N3O2
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.21
• IUPAC Name: 2-cyclohexyl-6-[(5-phenylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(C2CCCCC2)nc2c1CN(Cc1ccc(-c3ccccc3)o1)CC2
• InChI: InChI=1S/C24H27N3O2/c28-24-20-16-27(15-19-11-12-22(29-19)17-7-3-1-4-8-17)14-13-21(20)25-23(26-24)18-9-5-2-6-10-18/h1,3-4,7-8,11-12,18H,2,5-6,9-10,13-16H2,(H,25,26,28)
• InChIKey: VEYYTDAIGCMCOY-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 62.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-cyclohexyl-6-[(5-phenylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943376) is 2-cyclohexyl-6-[(5-phenylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 2-cyclohexyl-6-[(5-phenylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CCCCC2)nc2c1CN(Cc1ccc(-c3ccccc3)o1)CC2.

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

The InChIKey is VEYYTDAIGCMCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-24-20-16-27(15-19-11-12-22(29-19)17-7-3-1-4-8-17)14-13-21(20)25-23(26-24)18-9-5-2-6-10-18/h1,3-4,7-8,11-12,18H,2,5-6,9-10,13-16H2,(H,25,26,28).

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

2-cyclohexyl-6-[(5-phenylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 389.50 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-6-[(5-phenylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).