6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine

C15H14ClFN4 — CID 86045947

IUPAC6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine
SMILESCCCn1c(-c2ccc(F)cc2)nc2c(Cl)nc(C)nc21
InChIInChI=1S/C15H14ClFN4/c1-3-8-21-14(10-4-6-11(17)7-5-10)20-12-13(16)18-9(2)19-15(12)21/h4-7H,3,8H2,1-2H3
InChIKeyXNOOIQKOACYCLC-UHFFFAOYSA-N
MW304.76 g/mol
LogP4.00
Rot. Bonds3

About 6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine

6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine (PubChem CID 86045947) has the molecular formula C15H14ClFN4 and a molecular weight of 304.76 g/mol. Its IUPAC name is 6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine.

Molecular Properties

Compound Name6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine
PubChem CID86045947
Molecular FormulaC15H14ClFN4
Molecular Weight304.76 g/mol
Exact Mass304.09
IUPAC Name6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine
SMILESCCCn1c(-c2ccc(F)cc2)nc2c(Cl)nc(C)nc21
InChIInChI=1S/C15H14ClFN4/c1-3-8-21-14(10-4-6-11(17)7-5-10)20-12-13(16)18-9(2)19-15(12)21/h4-7H,3,8H2,1-2H3
InChIKeyXNOOIQKOACYCLC-UHFFFAOYSA-N
XLogP4.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Arprinocid
CID 41574
9-(2-phenylethyl)-9H-purin-6-amine
CID 309375
7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 1475476
9-(Phenylmethyl)-9H-purin-6-amine
CID 20262
9-Isopropyl-N-[3-(trifluoromethyl)benzyl]-9H-purin-6-amine
CID 49830252
1-(4-Fluorobenzyl)-2-chlorobenzimidazole
CID 3020241
6-Chloro-9-(3,4,5-trimethyl-pyridin-2-ylmethyl)-9H-purin-2-ylamine
CID 16736767
9-Ethyl-8-phenylethynyl-9H-purin-6-ylamine
CID 44300688
9-Benzyl-8-bromoadenine
CID 9904551
9-[(2,6-dichlorophenyl)methyl]-N,N-diethylpurin-6-amine
CID 594510
1-Benzyl-4,7-dichloro-1H-imidazo[4,5-d]pyridazine
CID 224703
9-benzyl-6-chloro-9H-purine
CID 230631

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine?
The IUPAC name of 6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine (CID 86045947) is 6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine.
What is the SMILES notation for 6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine?
The canonical SMILES for 6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine is CCCn1c(-c2ccc(F)cc2)nc2c(Cl)nc(C)nc21.
What is the InChIKey of 6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine?
The InChIKey is XNOOIQKOACYCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4/c1-3-8-21-14(10-4-6-11(17)7-5-10)20-12-13(16)18-9(2)19-15(12)21/h4-7H,3,8H2,1-2H3.
What are the key properties of 6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine?
6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine has a molecular weight of 304.76 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(4-fluorophenyl)-2-methyl-9-propylpurine is sourced from PubChem (CID 86045947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).