N-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine

C19H16ClN5O2 — CID 70683494

IUPACN-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine
SMILESCOc1ccc(-c2nc(Nc3cccc(Cl)c3)nc3nc[nH]c23)cc1OC
InChIInChI=1S/C19H16ClN5O2/c1-26-14-7-6-11(8-15(14)27-2)16-17-18(22-10-21-17)25-19(24-16)23-13-5-3-4-12(20)9-13/h3-10H,1-2H3,(H2,21,22,23,24,25)
InChIKeyNXPRGHRSTVWAIH-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.43
Rot. Bonds5

About N-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine

N-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine (PubChem CID 70683494) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine
PubChem CID70683494
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC NameN-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine
SMILESCOc1ccc(-c2nc(Nc3cccc(Cl)c3)nc3nc[nH]c23)cc1OC
InChIInChI=1S/C19H16ClN5O2/c1-26-14-7-6-11(8-15(14)27-2)16-17-18(22-10-21-17)25-19(24-16)23-13-5-3-4-12(20)9-13/h3-10H,1-2H3,(H2,21,22,23,24,25)
InChIKeyNXPRGHRSTVWAIH-UHFFFAOYSA-N
XLogP4.43
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine (CID 70683494) is N-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine is COc1ccc(-c2nc(Nc3cccc(Cl)c3)nc3nc[nH]c23)cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine?
The InChIKey is NXPRGHRSTVWAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-26-14-7-6-11(8-15(14)27-2)16-17-18(22-10-21-17)25-19(24-16)23-13-5-3-4-12(20)9-13/h3-10H,1-2H3,(H2,21,22,23,24,25).
What are the key properties of N-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine?
N-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine has a molecular weight of 381.82 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-purin-2-amine is sourced from PubChem (CID 70683494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).