7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C20H19BrN4O — CID 24931605

About 7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931605) has the molecular formula C20H19BrN4O and a molecular weight of 411.30 g/mol. Its IUPAC name is 7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 24931605
• Molecular Formula: C20H19BrN4O
• Molecular Weight: 411.30 g/mol
• Exact Mass: 410.07
• IUPAC Name: 7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: COc1ncc(Br)cc1CN1CCc2cnc(-c3ccccc3)nc2C1
• InChI: InChI=1S/C20H19BrN4O/c1-26-20-16(9-17(21)11-23-20)12-25-8-7-15-10-22-19(24-18(15)13-25)14-5-3-2-4-6-14/h2-6,9-11H,7-8,12-13H2,1H3
• InChIKey: XHXNQDZPKYGGBV-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 51.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.30
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The IUPAC name of 7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931605) is 7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

What is the SMILES notation for 7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The canonical SMILES for 7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is COc1ncc(Br)cc1CN1CCc2cnc(-c3ccccc3)nc2C1.

What is the InChIKey of 7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The InChIKey is XHXNQDZPKYGGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O/c1-26-20-16(9-17(21)11-23-20)12-25-8-7-15-10-22-19(24-18(15)13-25)14-5-3-2-4-6-14/h2-6,9-11H,7-8,12-13H2,1H3.

What are the key properties of 7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 411.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).