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

C20H16Cl3N3 — CID 24928899

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

2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928899) has the molecular formula C20H16Cl3N3 and a molecular weight of 404.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24928899
• Molecular Formula: C20H16Cl3N3
• Molecular Weight: 404.73 g/mol
• Exact Mass: 403.04
• IUPAC Name: 2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Clc1ccc(-c2ncc3c(n2)CCN(Cc2c(Cl)cccc2Cl)C3)cc1
• InChI: InChI=1S/C20H16Cl3N3/c21-15-6-4-13(5-7-15)20-24-10-14-11-26(9-8-19(14)25-20)12-16-17(22)2-1-3-18(16)23/h1-7,10H,8-9,11-12H2
• InChIKey: AFTSHCBDOREQFG-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.73
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928899) is 2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(-c2ncc3c(n2)CCN(Cc2c(Cl)cccc2Cl)C3)cc1.

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

The InChIKey is AFTSHCBDOREQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3N3/c21-15-6-4-13(5-7-15)20-24-10-14-11-26(9-8-19(14)25-20)12-16-17(22)2-1-3-18(16)23/h1-7,10H,8-9,11-12H2.

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

2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 404.73 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).