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

C16H19N3O3S — CID 24908615

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

[5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methyl acetate (PubChem CID 24908615) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is [5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methyl acetate
• PubChem CID: 24908615
• Molecular Formula: C16H19N3O3S
• Molecular Weight: 333.41 g/mol
• Exact Mass: 333.11
• IUPAC Name: [5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methyl acetate
• SMILES: CSc1ncc2c(n1)CCN(Cc1ccc(COC(C)=O)o1)C2
• InChI: InChI=1S/C16H19N3O3S/c1-11(20)21-10-14-4-3-13(22-14)9-19-6-5-15-12(8-19)7-17-16(18-15)23-2/h3-4,7H,5-6,8-10H2,1-2H3
• InChIKey: SPKIUAVHKLVMFP-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 68.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.41
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methyl acetate (CID 24908615) is [5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methyl acetate.

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

The canonical SMILES for [5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methyl acetate is CSc1ncc2c(n1)CCN(Cc1ccc(COC(C)=O)o1)C2.

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

The InChIKey is SPKIUAVHKLVMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11(20)21-10-14-4-3-13(22-14)9-19-6-5-15-12(8-19)7-17-16(18-15)23-2/h3-4,7H,5-6,8-10H2,1-2H3.

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

[5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methyl acetate has a molecular weight of 333.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methyl acetate is sourced from PubChem (CID 24908615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).