6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C19H18ClN3O2S — CID 135942180

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

6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135942180) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135942180
• Molecular Formula: C19H18ClN3O2S
• Molecular Weight: 387.89 g/mol
• Exact Mass: 387.08
• IUPAC Name: 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(-c3ccc(Cl)cc3)o1)CC2
• InChI: InChI=1S/C19H18ClN3O2S/c1-26-19-21-16-8-9-23(11-15(16)18(24)22-19)10-14-6-7-17(25-14)12-2-4-13(20)5-3-12/h2-7H,8-11H2,1H3,(H,21,22,24)
• InChIKey: UTKFOVVZOYCGIR-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 62.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.89
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135942180) is 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(-c3ccc(Cl)cc3)o1)CC2.

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

The InChIKey is UTKFOVVZOYCGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-26-19-21-16-8-9-23(11-15(16)18(24)22-19)10-14-6-7-17(25-14)12-2-4-13(20)5-3-12/h2-7H,8-11H2,1H3,(H,21,22,24).

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

6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 387.89 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135942180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).