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

C17H17N3O3S2 — CID 24916016

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

2-methylsulfonyl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24916016) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-methylsulfonyl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-methylsulfonyl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24916016
• Molecular Formula: C17H17N3O3S2
• Molecular Weight: 375.48 g/mol
• Exact Mass: 375.07
• IUPAC Name: 2-methylsulfonyl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CS(=O)(=O)c1ncc2c(n1)CCN(Cc1ccc(-c3ccsc3)o1)C2
• InChI: InChI=1S/C17H17N3O3S2/c1-25(21,22)17-18-8-13-9-20(6-4-15(13)19-17)10-14-2-3-16(23-14)12-5-7-24-11-12/h2-3,5,7-8,11H,4,6,9-10H2,1H3
• InChIKey: IHXVRPZKPIGOPD-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 76.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.48
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-methylsulfonyl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24916016) is 2-methylsulfonyl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 2-methylsulfonyl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CS(=O)(=O)c1ncc2c(n1)CCN(Cc1ccc(-c3ccsc3)o1)C2.

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

The InChIKey is IHXVRPZKPIGOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-25(21,22)17-18-8-13-9-20(6-4-15(13)19-17)10-14-2-3-16(23-14)12-5-7-24-11-12/h2-3,5,7-8,11H,4,6,9-10H2,1H3.

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

2-methylsulfonyl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 375.48 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylsulfonyl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24916016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).