6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C13H17N5S — CID 24910166

About 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910166) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24910166
• Molecular Formula: C13H17N5S
• Molecular Weight: 275.38 g/mol
• Exact Mass: 275.12
• IUPAC Name: 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CSc1ncc2c(n1)CCN(Cc1cc(C)[nH]n1)C2
• InChI: InChI=1S/C13H17N5S/c1-9-5-11(17-16-9)8-18-4-3-12-10(7-18)6-14-13(15-12)19-2/h5-6H,3-4,7-8H2,1-2H3,(H,16,17)
• InChIKey: KOLLHFLBUTVYLZ-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.38
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910166) is 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CSc1ncc2c(n1)CCN(Cc1cc(C)[nH]n1)C2.

What is the InChIKey of 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is KOLLHFLBUTVYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-9-5-11(17-16-9)8-18-4-3-12-10(7-18)6-14-13(15-12)19-2/h5-6H,3-4,7-8H2,1-2H3,(H,16,17).

What are the key properties of 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(5-methyl-1H-pyrazol-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 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).