8-(2-chlorophenyl)-N-[(3,5-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine

C24H23Cl3N6 — CID 58155762

About 8-(2-chlorophenyl)-N-[(3,5-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine

8-(2-chlorophenyl)-N-[(3,5-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine (PubChem CID 58155762) has the molecular formula C24H23Cl3N6 and a molecular weight of 501.85 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-N-[(3,5-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine.

Molecular Properties

• Compound Name: 8-(2-chlorophenyl)-N-[(3,5-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
• PubChem CID: 58155762
• Molecular Formula: C24H23Cl3N6
• Molecular Weight: 501.85 g/mol
• Exact Mass: 500.10
• IUPAC Name: 8-(2-chlorophenyl)-N-[(3,5-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
• SMILES: Clc1cc(Cl)cc(CNc2ncc3nc(-c4ccccc4Cl)n(C[C@@H]4CCCNC4)c3n2)c1
• InChI: InChI=1S/C24H23Cl3N6/c25-17-8-16(9-18(26)10-17)12-29-24-30-13-21-23(32-24)33(14-15-4-3-7-28-11-15)22(31-21)19-5-1-2-6-20(19)27/h1-2,5-6,8-10,13,15,28H,3-4,7,11-12,14H2,(H,29,30,32)/t15-/m1/s1
• InChIKey: UYVKTGBIGFQFGD-OAHLLOKOSA-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-[(3,5-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine?

The IUPAC name of 8-(2-chlorophenyl)-N-[(3,5-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine (CID 58155762) is 8-(2-chlorophenyl)-N-[(3,5-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine.

What is the SMILES notation for 8-(2-chlorophenyl)-N-[(3,5-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine?

The canonical SMILES for 8-(2-chlorophenyl)-N-[(3,5-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine is Clc1cc(Cl)cc(CNc2ncc3nc(-c4ccccc4Cl)n(C[C@@H]4CCCNC4)c3n2)c1.

What is the InChIKey of 8-(2-chlorophenyl)-N-[(3,5-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine?

The InChIKey is UYVKTGBIGFQFGD-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23Cl3N6/c25-17-8-16(9-18(26)10-17)12-29-24-30-13-21-23(32-24)33(14-15-4-3-7-28-11-15)22(31-21)19-5-1-2-6-20(19)27/h1-2,5-6,8-10,13,15,28H,3-4,7,11-12,14H2,(H,29,30,32)/t15-/m1/s1.

What are the key properties of 8-(2-chlorophenyl)-N-[(3,5-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine?

8-(2-chlorophenyl)-N-[(3,5-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-[(3,5-dichlorophenyl)methyl]-9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine is sourced from PubChem (CID 58155762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).