2-chloro-N-(4-propylphenyl)-7H-purin-6-amine

C14H14ClN5 — CID 104787158

IUPAC2-chloro-N-(4-propylphenyl)-7H-purin-6-amine
SMILESCCCc1ccc(Nc2nc(Cl)nc3nc[nH]c23)cc1
InChIInChI=1S/C14H14ClN5/c1-2-3-9-4-6-10(7-5-9)18-13-11-12(17-8-16-11)19-14(15)20-13/h4-8H,2-3H2,1H3,(H2,16,17,18,19,20)
InChIKeyJSUQUYDHDJMIFH-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.70
Rot. Bonds4

About 2-chloro-N-(4-propylphenyl)-7H-purin-6-amine

2-chloro-N-(4-propylphenyl)-7H-purin-6-amine (PubChem CID 104787158) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-chloro-N-(4-propylphenyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(4-propylphenyl)-7H-purin-6-amine
PubChem CID104787158
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name2-chloro-N-(4-propylphenyl)-7H-purin-6-amine
SMILESCCCc1ccc(Nc2nc(Cl)nc3nc[nH]c23)cc1
InChIInChI=1S/C14H14ClN5/c1-2-3-9-4-6-10(7-5-9)18-13-11-12(17-8-16-11)19-14(15)20-13/h4-8H,2-3H2,1H3,(H2,16,17,18,19,20)
InChIKeyJSUQUYDHDJMIFH-UHFFFAOYSA-N
XLogP3.70
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(4-propylphenyl)-7H-purin-6-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-pyridin-4-yl-7H-purin-6-amine
CID 155102926
2-chloro-N-[4-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 104787085
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510
2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697462
2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine
CID 113442631
2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine
CID 107622624
3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 81035328
5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine
CID 79076273
2-chloro-N-(4-propylphenyl)quinazolin-4-amine
CID 63548383
N-(4-bromo-3-iodophenyl)-2-chloro-7H-purin-6-amine
CID 114261164
4-[(2-chloro-7H-purin-6-yl)amino]benzene-1,2-dicarbonitrile
CID 107792395

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-propylphenyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(4-propylphenyl)-7H-purin-6-amine (CID 104787158) is 2-chloro-N-(4-propylphenyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(4-propylphenyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(4-propylphenyl)-7H-purin-6-amine is CCCc1ccc(Nc2nc(Cl)nc3nc[nH]c23)cc1.
What is the InChIKey of 2-chloro-N-(4-propylphenyl)-7H-purin-6-amine?
The InChIKey is JSUQUYDHDJMIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-2-3-9-4-6-10(7-5-9)18-13-11-12(17-8-16-11)19-14(15)20-13/h4-8H,2-3H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-chloro-N-(4-propylphenyl)-7H-purin-6-amine?
2-chloro-N-(4-propylphenyl)-7H-purin-6-amine has a molecular weight of 287.75 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-propylphenyl)-7H-purin-6-amine is sourced from PubChem (CID 104787158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).