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

C17H17N3S2 — CID 24908845

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

6-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24908845) has the molecular formula C17H17N3S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is 6-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24908845
• Molecular Formula: C17H17N3S2
• Molecular Weight: 327.48 g/mol
• Exact Mass: 327.09
• IUPAC Name: 6-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1ccc(CN2CCc3nc(-c4cccs4)ncc3C2)s1
• InChI: InChI=1S/C17H17N3S2/c1-12-4-5-14(22-12)11-20-7-6-15-13(10-20)9-18-17(19-15)16-3-2-8-21-16/h2-5,8-9H,6-7,10-11H2,1H3
• InChIKey: OBUDKVOEDUKNBC-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 29.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.48
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24908845) is 6-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc(CN2CCc3nc(-c4cccs4)ncc3C2)s1.

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

The InChIKey is OBUDKVOEDUKNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S2/c1-12-4-5-14(22-12)11-20-7-6-15-13(10-20)9-18-17(19-15)16-3-2-8-21-16/h2-5,8-9H,6-7,10-11H2,1H3.

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

6-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 327.48 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24908845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).