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

C21H23N3O3 — CID 24928620

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

6-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928620) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24928620
• Molecular Formula: C21H23N3O3
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.17
• IUPAC Name: 6-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COc1ccc(CN2CCc3nc(-c4ccco4)ncc3C2)c(OC)c1C
• InChI: InChI=1S/C21H23N3O3/c1-14-18(25-2)7-6-15(20(14)26-3)12-24-9-8-17-16(13-24)11-22-21(23-17)19-5-4-10-27-19/h4-7,10-11H,8-9,12-13H2,1-3H3
• InChIKey: JMQCXFCAIBPZNO-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 60.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928620) is 6-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(CN2CCc3nc(-c4ccco4)ncc3C2)c(OC)c1C.

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

The InChIKey is JMQCXFCAIBPZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-18(25-2)7-6-15(20(14)26-3)12-24-9-8-17-16(13-24)11-22-21(23-17)19-5-4-10-27-19/h4-7,10-11H,8-9,12-13H2,1-3H3.

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

6-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 365.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).