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

C18H15Br2N5 — CID 24915740

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

6-[(3,5-dibromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915740) has the molecular formula C18H15Br2N5 and a molecular weight of 461.16 g/mol. Its IUPAC name is 6-[(3,5-dibromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(3,5-dibromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24915740
• Molecular Formula: C18H15Br2N5
• Molecular Weight: 461.16 g/mol
• Exact Mass: 458.97
• IUPAC Name: 6-[(3,5-dibromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Brc1cncc(Br)c1CN1CCc2nc(-c3cccnc3)ncc2C1
• InChI: InChI=1S/C18H15Br2N5/c19-15-8-22-9-16(20)14(15)11-25-5-3-17-13(10-25)7-23-18(24-17)12-2-1-4-21-6-12/h1-2,4,6-9H,3,5,10-11H2
• InChIKey: ZCUWDPXZODDYFE-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 54.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.16
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(3,5-dibromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915740) is 6-[(3,5-dibromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(3,5-dibromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Brc1cncc(Br)c1CN1CCc2nc(-c3cccnc3)ncc2C1.

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

The InChIKey is ZCUWDPXZODDYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2N5/c19-15-8-22-9-16(20)14(15)11-25-5-3-17-13(10-25)7-23-18(24-17)12-2-1-4-21-6-12/h1-2,4,6-9H,3,5,10-11H2.

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

6-[(3,5-dibromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 461.16 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3,5-dibromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).