9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine

C12H9ClFN5O — CID 107368239

IUPAC9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine
SMILESCOc1ncnc2c1nc(N)n2-c1cc(F)cc(Cl)c1
InChIInChI=1S/C12H9ClFN5O/c1-20-11-9-10(16-5-17-11)19(12(15)18-9)8-3-6(13)2-7(14)4-8/h2-5H,1H3,(H2,15,18)
InChIKeyUVKQKLSLLNZISP-UHFFFAOYSA-N
MW293.69 g/mol
LogP2.20
Rot. Bonds2

About 9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine

9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine (PubChem CID 107368239) has the molecular formula C12H9ClFN5O and a molecular weight of 293.69 g/mol. Its IUPAC name is 9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine.

Molecular Properties

Compound Name9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine
PubChem CID107368239
Molecular FormulaC12H9ClFN5O
Molecular Weight293.69 g/mol
Exact Mass293.05
IUPAC Name9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine
SMILESCOc1ncnc2c1nc(N)n2-c1cc(F)cc(Cl)c1
InChIInChI=1S/C12H9ClFN5O/c1-20-11-9-10(16-5-17-11)19(12(15)18-9)8-3-6(13)2-7(14)4-8/h2-5H,1H3,(H2,15,18)
InChIKeyUVKQKLSLLNZISP-UHFFFAOYSA-N
XLogP2.20
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-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

9-(3-chloro-5-fluorophenyl)-6-methoxy-7H-purine-8-thione
CID 107368061
4-(8-amino-6-methoxypurin-9-yl)-3-chlorobenzonitrile
CID 107809098
9-(2,6-dibromophenyl)-6-methoxypurin-8-amine
CID 107601316
3-(3-chloro-5-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 107368309
6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine
CID 107645395
3-(3,5-dichlorophenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288307
9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine
CID 106760245
1-(3,5-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508643
6-methoxy-9-octylpurin-8-amine
CID 115569133
6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine
CID 106326325
2-(3-chloro-5-fluorophenyl)triazol-4-amine
CID 107371267
6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine
CID 80721385

Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine?
The IUPAC name of 9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine (CID 107368239) is 9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine.
What is the SMILES notation for 9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine?
The canonical SMILES for 9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine is COc1ncnc2c1nc(N)n2-c1cc(F)cc(Cl)c1.
What is the InChIKey of 9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine?
The InChIKey is UVKQKLSLLNZISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN5O/c1-20-11-9-10(16-5-17-11)19(12(15)18-9)8-3-6(13)2-7(14)4-8/h2-5H,1H3,(H2,15,18).
What are the key properties of 9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine?
9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine has a molecular weight of 293.69 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine is sourced from PubChem (CID 107368239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).