8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine

C18H13ClFN5 — CID 67383970

IUPAC8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine
SMILESCn1c(-c2c(F)cccc2Cl)nc2c(Nc3ccccc3)ncnc21
InChIInChI=1S/C18H13ClFN5/c1-25-17(14-12(19)8-5-9-13(14)20)24-15-16(21-10-22-18(15)25)23-11-6-3-2-4-7-11/h2-10H,1H3,(H,21,22,23)
InChIKeyFCUWUKRNQSVMDC-UHFFFAOYSA-N
MW353.79 g/mol
LogP4.57
Rot. Bonds3

About 8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine

8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine (PubChem CID 67383970) has the molecular formula C18H13ClFN5 and a molecular weight of 353.79 g/mol. Its IUPAC name is 8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine.

Molecular Properties

Compound Name8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine
PubChem CID67383970
Molecular FormulaC18H13ClFN5
Molecular Weight353.79 g/mol
Exact Mass353.08
IUPAC Name8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine
SMILESCn1c(-c2c(F)cccc2Cl)nc2c(Nc3ccccc3)ncnc21
InChIInChI=1S/C18H13ClFN5/c1-25-17(14-12(19)8-5-9-13(14)20)24-15-16(21-10-22-18(15)25)23-11-6-3-2-4-7-11/h2-10H,1H3,(H,21,22,23)
InChIKeyFCUWUKRNQSVMDC-UHFFFAOYSA-N
XLogP4.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,8-diphenyl-9-propan-2-ylpurin-6-amine
CID 117092948
9-(4-fluorophenyl)-N-phenylpurin-6-amine
CID 102501130
9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine
CID 11246262
N-(2-chlorophenyl)-8-fluoroquinazolin-4-amine
CID 110434661
2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 44569785
2-(2-chloro-6-fluorophenyl)-1-methylimidazole
CID 82077992
2,8,9-trimethyl-N-phenylpurin-6-amine
CID 13439238
2-chloro-6-fluoro-N-phenylaniline
CID 18546408
7,8-difluoro-N-phenylquinazolin-4-amine
CID 166377180
5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine
CID 11644513
N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7688242
4-N-(2-chlorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19147903

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine?
The IUPAC name of 8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine (CID 67383970) is 8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine.
What is the SMILES notation for 8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine?
The canonical SMILES for 8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine is Cn1c(-c2c(F)cccc2Cl)nc2c(Nc3ccccc3)ncnc21.
What is the InChIKey of 8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine?
The InChIKey is FCUWUKRNQSVMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5/c1-25-17(14-12(19)8-5-9-13(14)20)24-15-16(21-10-22-18(15)25)23-11-6-3-2-4-7-11/h2-10H,1H3,(H,21,22,23).
What are the key properties of 8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine?
8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine has a molecular weight of 353.79 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-6-fluorophenyl)-9-methyl-N-phenylpurin-6-amine is sourced from PubChem (CID 67383970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).