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

C16H23N5S — CID 24916340

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

6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24916340) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24916340
• Molecular Formula: C16H23N5S
• Molecular Weight: 317.46 g/mol
• Exact Mass: 317.17
• IUPAC Name: 6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CSc1ncc2c(n1)CCN(Cc1cn[nH]c1C(C)(C)C)C2
• InChI: InChI=1S/C16H23N5S/c1-16(2,3)14-12(8-18-20-14)10-21-6-5-13-11(9-21)7-17-15(19-13)22-4/h7-8H,5-6,9-10H2,1-4H3,(H,18,20)
• InChIKey: FOSICWQYQDBWGM-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.46
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24916340) is 6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CSc1ncc2c(n1)CCN(Cc1cn[nH]c1C(C)(C)C)C2.

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

The InChIKey is FOSICWQYQDBWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-16(2,3)14-12(8-18-20-14)10-21-6-5-13-11(9-21)7-17-15(19-13)22-4/h7-8H,5-6,9-10H2,1-4H3,(H,18,20).

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

6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 317.46 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24916340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).