9-phenylpurine-2,6-diamine;dihydrochloride

C11H12Cl2N6 — CID 141031122

IUPAC9-phenylpurine-2,6-diamine;dihydrochloride
SMILESCl.Cl.Nc1nc(N)c2ncn(-c3ccccc3)c2n1
InChIInChI=1S/C11H10N6.2ClH/c12-9-8-10(16-11(13)15-9)17(6-14-8)7-4-2-1-3-5-7;;/h1-6H,(H4,12,13,15,16);2*1H
InChIKeyZKGGIWOYHKQMMN-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.82
Rot. Bonds1

About 9-phenylpurine-2,6-diamine;dihydrochloride

9-phenylpurine-2,6-diamine;dihydrochloride (PubChem CID 141031122) has the molecular formula C11H12Cl2N6 and a molecular weight of 299.17 g/mol. Its IUPAC name is 9-phenylpurine-2,6-diamine;dihydrochloride.

Molecular Properties

Compound Name9-phenylpurine-2,6-diamine;dihydrochloride
PubChem CID141031122
Molecular FormulaC11H12Cl2N6
Molecular Weight299.17 g/mol
Exact Mass298.05
IUPAC Name9-phenylpurine-2,6-diamine;dihydrochloride
SMILESCl.Cl.Nc1nc(N)c2ncn(-c3ccccc3)c2n1
InChIInChI=1S/C11H10N6.2ClH/c12-9-8-10(16-11(13)15-9)17(6-14-8)7-4-2-1-3-5-7;;/h1-6H,(H4,12,13,15,16);2*1H
InChIKeyZKGGIWOYHKQMMN-UHFFFAOYSA-N
XLogP1.82
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-phenylpurine-2,6-diamine;dihydrochloride 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

9-[4-(1,3-thiazol-2-yl)phenyl]purine-2,6-diamine
CID 174619624
9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine
CID 117093201
3-phenylimidazo[4,5-b]quinoxaline
CID 18679011
9-propylpurine-2,6-diamine;dihydrochloride
CID 141031131
cyclopropane;9-methylpurine-2,6-diamine
CID 142265839
9-(1-aminoethyl)purine-2,6-diamine
CID 166965678
[4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol
CID 141223619
9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine
CID 54053692
4-[4-[6-amino-9-(4-fluorophenyl)purin-2-yl]piperazin-1-yl]phenol
CID 155102719
9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine
CID 167978863
6-chloro-9-(4-cyclohexylphenyl)purin-2-amine
CID 46931824
9-N-amino-9-N-(methylamino)purine-2,6,9-triamine
CID 170001265

Frequently Asked Questions

What is the IUPAC name of 9-phenylpurine-2,6-diamine;dihydrochloride?
The IUPAC name of 9-phenylpurine-2,6-diamine;dihydrochloride (CID 141031122) is 9-phenylpurine-2,6-diamine;dihydrochloride.
What is the SMILES notation for 9-phenylpurine-2,6-diamine;dihydrochloride?
The canonical SMILES for 9-phenylpurine-2,6-diamine;dihydrochloride is Cl.Cl.Nc1nc(N)c2ncn(-c3ccccc3)c2n1.
What is the InChIKey of 9-phenylpurine-2,6-diamine;dihydrochloride?
The InChIKey is ZKGGIWOYHKQMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6.2ClH/c12-9-8-10(16-11(13)15-9)17(6-14-8)7-4-2-1-3-5-7;;/h1-6H,(H4,12,13,15,16);2*1H.
What are the key properties of 9-phenylpurine-2,6-diamine;dihydrochloride?
9-phenylpurine-2,6-diamine;dihydrochloride has a molecular weight of 299.17 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenylpurine-2,6-diamine;dihydrochloride is sourced from PubChem (CID 141031122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).