6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H21N7OS — CID 24912427

About 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912427) has the molecular formula C24H21N7OS and a molecular weight of 455.55 g/mol. Its IUPAC name is 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24912427
• Molecular Formula: C24H21N7OS
• Molecular Weight: 455.55 g/mol
• Exact Mass: 455.15
• IUPAC Name: 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1ccc2nc(Sc3ccc(CN4CCc5nc(-c6cncnc6)ncc5C4)o3)[nH]c2c1
• InChI: InChI=1S/C24H21N7OS/c1-15-2-4-20-21(8-15)30-24(29-20)33-22-5-3-18(32-22)13-31-7-6-19-17(12-31)11-27-23(28-19)16-9-25-14-26-10-16/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,29,30)
• InChIKey: YADKILMPMOFQJM-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 96.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.55
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912427) is 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc2nc(Sc3ccc(CN4CCc5nc(-c6cncnc6)ncc5C4)o3)[nH]c2c1.

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

The InChIKey is YADKILMPMOFQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7OS/c1-15-2-4-20-21(8-15)30-24(29-20)33-22-5-3-18(32-22)13-31-7-6-19-17(12-31)11-27-23(28-19)16-9-25-14-26-10-16/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,29,30).

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

6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 455.55 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).