8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine

C24H23Cl3N6 — CID 58155611

About 8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine

8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine (PubChem CID 58155611) has the molecular formula C24H23Cl3N6 and a molecular weight of 501.85 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine.

Molecular Properties

• Compound Name: 8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
• PubChem CID: 58155611
• Molecular Formula: C24H23Cl3N6
• Molecular Weight: 501.85 g/mol
• Exact Mass: 500.10
• IUPAC Name: 8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
• SMILES: Clc1ccc(CNc2ncc3nc(-c4ccccc4Cl)n(C[C@@H]4CCCNC4)c3n2)cc1Cl
• InChI: InChI=1S/C24H23Cl3N6/c25-18-6-2-1-5-17(18)22-31-21-13-30-24(29-12-15-7-8-19(26)20(27)10-15)32-23(21)33(22)14-16-4-3-9-28-11-16/h1-2,5-8,10,13,16,28H,3-4,9,11-12,14H2,(H,29,30,32)/t16-/m1/s1
• InChIKey: CVSGLGJNPIKORH-MRXNPFEDSA-N
• XLogP: 6.07
• TPSA: 67.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.85
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine?

The IUPAC name of 8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine (CID 58155611) is 8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine.

What is the SMILES notation for 8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine?

The canonical SMILES for 8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine is Clc1ccc(CNc2ncc3nc(-c4ccccc4Cl)n(C[C@@H]4CCCNC4)c3n2)cc1Cl.

What is the InChIKey of 8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine?

The InChIKey is CVSGLGJNPIKORH-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23Cl3N6/c25-18-6-2-1-5-17(18)22-31-21-13-30-24(29-12-15-7-8-19(26)20(27)10-15)32-23(21)33(22)14-16-4-3-9-28-11-16/h1-2,5-8,10,13,16,28H,3-4,9,11-12,14H2,(H,29,30,32)/t16-/m1/s1.

What are the key properties of 8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine?

8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine has a molecular weight of 501.85 g/mol, XLogP of 6.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine is sourced from PubChem (CID 58155611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).