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

C13H17N5S — CID 24913379

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

6-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24913379) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24913379
• Molecular Formula: C13H17N5S
• Molecular Weight: 275.38 g/mol
• Exact Mass: 275.12
• IUPAC Name: 6-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CSc1ncc2c(n1)CCN(Cc1ccnn1C)C2
• InChI: InChI=1S/C13H17N5S/c1-17-11(3-5-15-17)9-18-6-4-12-10(8-18)7-14-13(16-12)19-2/h3,5,7H,4,6,8-9H2,1-2H3
• InChIKey: KEXLLDAGUQJOJU-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 46.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.38
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24913379) is 6-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CSc1ncc2c(n1)CCN(Cc1ccnn1C)C2.

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

The InChIKey is KEXLLDAGUQJOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-17-11(3-5-15-17)9-18-6-4-12-10(8-18)7-14-13(16-12)19-2/h3,5,7H,4,6,8-9H2,1-2H3.

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

6-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 275.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24913379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).