2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H17N5OS — CID 135946138

About 2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946138) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135946138
• Molecular Formula: C17H17N5OS
• Molecular Weight: 339.42 g/mol
• Exact Mass: 339.12
• IUPAC Name: 2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc3cccnc3n1)CC2
• InChI: InChI=1S/C17H17N5OS/c1-24-17-20-14-6-8-22(10-13(14)16(23)21-17)9-12-5-4-11-3-2-7-18-15(11)19-12/h2-5,7H,6,8-10H2,1H3,(H,20,21,23)
• InChIKey: UGIMWYSMVGJPHQ-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.42
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946138) is 2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc3cccnc3n1)CC2.

What is the InChIKey of 2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is UGIMWYSMVGJPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-24-17-20-14-6-8-22(10-13(14)16(23)21-17)9-12-5-4-11-3-2-7-18-15(11)19-12/h2-5,7H,6,8-10H2,1H3,(H,20,21,23).

What are the key properties of 2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 339.42 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylsulfanyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).