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

C20H17N5OS — CID 24916018

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

2-pyrimidin-5-yl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24916018) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-pyrimidin-5-yl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24916018
• Molecular Formula: C20H17N5OS
• Molecular Weight: 375.46 g/mol
• Exact Mass: 375.12
• IUPAC Name: 2-pyrimidin-5-yl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: c1ncc(-c2ncc3c(n2)CCN(Cc2ccc(-c4ccsc4)o2)C3)cn1
• InChI: InChI=1S/C20H17N5OS/c1-2-19(14-4-6-27-12-14)26-17(1)11-25-5-3-18-16(10-25)9-23-20(24-18)15-7-21-13-22-8-15/h1-2,4,6-9,12-13H,3,5,10-11H2
• InChIKey: RYZWOYVDCLFHGB-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 67.94 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.46
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-pyrimidin-5-yl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24916018) is 2-pyrimidin-5-yl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 2-pyrimidin-5-yl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1ncc(-c2ncc3c(n2)CCN(Cc2ccc(-c4ccsc4)o2)C3)cn1.

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

The InChIKey is RYZWOYVDCLFHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-2-19(14-4-6-27-12-14)26-17(1)11-25-5-3-18-16(10-25)9-23-20(24-18)15-7-21-13-22-8-15/h1-2,4,6-9,12-13H,3,5,10-11H2.

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

2-pyrimidin-5-yl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 375.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyrimidin-5-yl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24916018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).