2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine

C13H13Cl2F3N4 — CID 90325410

IUPAC2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine
SMILESFC(F)(F)C1CCC(Cn2cnc3nc(Cl)nc(Cl)c32)CC1
InChIInChI=1S/C13H13Cl2F3N4/c14-10-9-11(21-12(15)20-10)19-6-22(9)5-7-1-3-8(4-2-7)13(16,17)18/h6-8H,1-5H2
InChIKeyGYVXPRRFVUNRQG-UHFFFAOYSA-N
MW353.18 g/mol
LogP4.50
Rot. Bonds2

About 2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine

2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine (PubChem CID 90325410) has the molecular formula C13H13Cl2F3N4 and a molecular weight of 353.18 g/mol. Its IUPAC name is 2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine.

Molecular Properties

Compound Name2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine
PubChem CID90325410
Molecular FormulaC13H13Cl2F3N4
Molecular Weight353.18 g/mol
Exact Mass352.05
IUPAC Name2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine
SMILESFC(F)(F)C1CCC(Cn2cnc3nc(Cl)nc(Cl)c32)CC1
InChIInChI=1S/C13H13Cl2F3N4/c14-10-9-11(21-12(15)20-10)19-6-22(9)5-7-1-3-8(4-2-7)13(16,17)18/h6-8H,1-5H2
InChIKeyGYVXPRRFVUNRQG-UHFFFAOYSA-N
XLogP4.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine 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

2,6-dichloro-7-[(3,3-difluoro-4-methylcyclohexyl)methyl]purine
CID 118558734
6-(3-chlorophenyl)-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine-2-carbonitrile
CID 118590255
6-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidine-4-carbonitrile
CID 167891127
2-chloro-7-[(4-methylcyclohexyl)methyl]-6-(3-methylphenyl)purine
CID 118558698
5-[2-(2,6-dichloropurin-7-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 19804632
2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine
CID 118636092
6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one
CID 114582159
5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 118288394
2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine
CID 90318644
2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine
CID 124560527
6-chloro-7-prop-2-enylpurin-2-amine
CID 15673670
2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine
CID 16733520

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine?
The IUPAC name of 2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine (CID 90325410) is 2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine.
What is the SMILES notation for 2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine?
The canonical SMILES for 2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine is FC(F)(F)C1CCC(Cn2cnc3nc(Cl)nc(Cl)c32)CC1.
What is the InChIKey of 2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine?
The InChIKey is GYVXPRRFVUNRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2F3N4/c14-10-9-11(21-12(15)20-10)19-6-22(9)5-7-1-3-8(4-2-7)13(16,17)18/h6-8H,1-5H2.
What are the key properties of 2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine?
2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine has a molecular weight of 353.18 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine is sourced from PubChem (CID 90325410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).