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

C18H15BrClN3O — CID 24911088

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

6-[(4-bromofuran-2-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911088) has the molecular formula C18H15BrClN3O and a molecular weight of 404.70 g/mol. Its IUPAC name is 6-[(4-bromofuran-2-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(4-bromofuran-2-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24911088
• Molecular Formula: C18H15BrClN3O
• Molecular Weight: 404.70 g/mol
• Exact Mass: 403.01
• IUPAC Name: 6-[(4-bromofuran-2-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Clc1ccc(-c2ncc3c(n2)CCN(Cc2cc(Br)co2)C3)cc1
• InChI: InChI=1S/C18H15BrClN3O/c19-14-7-16(24-11-14)10-23-6-5-17-13(9-23)8-21-18(22-17)12-1-3-15(20)4-2-12/h1-4,7-8,11H,5-6,9-10H2
• InChIKey: KWRBJOPXWWGEEP-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 42.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.70
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-[(4-bromofuran-2-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911088) is 6-[(4-bromofuran-2-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(4-bromofuran-2-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(-c2ncc3c(n2)CCN(Cc2cc(Br)co2)C3)cc1.

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

The InChIKey is KWRBJOPXWWGEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O/c19-14-7-16(24-11-14)10-23-6-5-17-13(9-23)8-21-18(22-17)12-1-3-15(20)4-2-12/h1-4,7-8,11H,5-6,9-10H2.

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

6-[(4-bromofuran-2-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 404.70 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-bromofuran-2-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).