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

C22H17Cl2N5O — CID 24910915

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

6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910915) has the molecular formula C22H17Cl2N5O and a molecular weight of 438.32 g/mol. Its IUPAC name is 6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24910915
• Molecular Formula: C22H17Cl2N5O
• Molecular Weight: 438.32 g/mol
• Exact Mass: 437.08
• IUPAC Name: 6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Clc1ccc(Cl)c(-c2ccc(CN3CCc4nc(-c5cncnc5)ncc4C3)o2)c1
• InChI: InChI=1S/C22H17Cl2N5O/c23-16-1-3-19(24)18(7-16)21-4-2-17(30-21)12-29-6-5-20-15(11-29)10-27-22(28-20)14-8-25-13-26-9-14/h1-4,7-10,13H,5-6,11-12H2
• InChIKey: MORAONZVVOPLEY-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 67.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.32
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910915) is 6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(Cl)c(-c2ccc(CN3CCc4nc(-c5cncnc5)ncc4C3)o2)c1.

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

The InChIKey is MORAONZVVOPLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O/c23-16-1-3-19(24)18(7-16)21-4-2-17(30-21)12-29-6-5-20-15(11-29)10-27-22(28-20)14-8-25-13-26-9-14/h1-4,7-10,13H,5-6,11-12H2.

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

6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 438.32 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).