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

C14H17N3O4S — CID 24908648

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

[5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol (PubChem CID 24908648) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is [5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol.

Molecular Properties

• Compound Name: [5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
• PubChem CID: 24908648
• Molecular Formula: C14H17N3O4S
• Molecular Weight: 323.37 g/mol
• Exact Mass: 323.09
• IUPAC Name: [5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
• SMILES: CS(=O)(=O)c1ncc2c(n1)CCN(Cc1ccc(CO)o1)C2
• InChI: InChI=1S/C14H17N3O4S/c1-22(19,20)14-15-6-10-7-17(5-4-13(10)16-14)8-11-2-3-12(9-18)21-11/h2-3,6,18H,4-5,7-9H2,1H3
• InChIKey: UGDDVYLXPMVJMI-UHFFFAOYSA-N
• XLogP: 0.52
• TPSA: 96.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.37
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol (CID 24908648) is [5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol.

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

The canonical SMILES for [5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol is CS(=O)(=O)c1ncc2c(n1)CCN(Cc1ccc(CO)o1)C2.

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

The InChIKey is UGDDVYLXPMVJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-22(19,20)14-15-6-10-7-17(5-4-13(10)16-14)8-11-2-3-12(9-18)21-11/h2-3,6,18H,4-5,7-9H2,1H3.

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

[5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol has a molecular weight of 323.37 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol is sourced from PubChem (CID 24908648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).