9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine

C23H20Cl3N5 — CID 25190876

IUPAC9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine
SMILESClc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc3c(NC4CCCCC4)ncnc32)cc1
InChIInChI=1S/C23H20Cl3N5/c24-14-6-9-17(10-7-14)31-22(18-11-8-15(25)12-19(18)26)30-20-21(27-13-28-23(20)31)29-16-4-2-1-3-5-16/h6-13,16H,1-5H2,(H,27,28,29)
InChIKeyICLCHVCUUGMJML-UHFFFAOYSA-N
MW472.81 g/mol
LogP7.19
Rot. Bonds4

About 9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine

9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine (PubChem CID 25190876) has the molecular formula C23H20Cl3N5 and a molecular weight of 472.81 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine.

Molecular Properties

Compound Name9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine
PubChem CID25190876
Molecular FormulaC23H20Cl3N5
Molecular Weight472.81 g/mol
Exact Mass471.08
IUPAC Name9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine
SMILESClc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc3c(NC4CCCCC4)ncnc32)cc1
InChIInChI=1S/C23H20Cl3N5/c24-14-6-9-17(10-7-14)31-22(18-11-8-15(25)12-19(18)26)30-20-21(27-13-28-23(20)31)29-16-4-2-1-3-5-16/h6-13,16H,1-5H2,(H,27,28,29)
InChIKeyICLCHVCUUGMJML-UHFFFAOYSA-N
XLogP7.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.81
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine?
The IUPAC name of 9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine (CID 25190876) is 9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine.
What is the SMILES notation for 9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine?
The canonical SMILES for 9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine is Clc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc3c(NC4CCCCC4)ncnc32)cc1.
What is the InChIKey of 9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine?
The InChIKey is ICLCHVCUUGMJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl3N5/c24-14-6-9-17(10-7-14)31-22(18-11-8-15(25)12-19(18)26)30-20-21(27-13-28-23(20)31)29-16-4-2-1-3-5-16/h6-13,16H,1-5H2,(H,27,28,29).
What are the key properties of 9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine?
9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine has a molecular weight of 472.81 g/mol, XLogP of 7.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)purin-6-amine is sourced from PubChem (CID 25190876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).