6-[3-(4-fluorophenyl)propyl]-7H-purine

C14H13FN4 — CID 158547626

IUPAC6-[3-(4-fluorophenyl)propyl]-7H-purine
SMILESFc1ccc(CCCc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C14H13FN4/c15-11-6-4-10(5-7-11)2-1-3-12-13-14(18-8-16-12)19-9-17-13/h4-9H,1-3H2,(H,16,17,18,19)
InChIKeyHPHWEQZDXGABQQ-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.67
Rot. Bonds4

About 6-[3-(4-fluorophenyl)propyl]-7H-purine

6-[3-(4-fluorophenyl)propyl]-7H-purine (PubChem CID 158547626) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)propyl]-7H-purine.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)propyl]-7H-purine
PubChem CID158547626
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name6-[3-(4-fluorophenyl)propyl]-7H-purine
SMILESFc1ccc(CCCc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C14H13FN4/c15-11-6-4-10(5-7-11)2-1-3-12-13-14(18-8-16-12)19-9-17-13/h4-9H,1-3H2,(H,16,17,18,19)
InChIKeyHPHWEQZDXGABQQ-UHFFFAOYSA-N
XLogP2.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)propyl]-7H-purine?
The IUPAC name of 6-[3-(4-fluorophenyl)propyl]-7H-purine (CID 158547626) is 6-[3-(4-fluorophenyl)propyl]-7H-purine.
What is the SMILES notation for 6-[3-(4-fluorophenyl)propyl]-7H-purine?
The canonical SMILES for 6-[3-(4-fluorophenyl)propyl]-7H-purine is Fc1ccc(CCCc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 6-[3-(4-fluorophenyl)propyl]-7H-purine?
The InChIKey is HPHWEQZDXGABQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c15-11-6-4-10(5-7-11)2-1-3-12-13-14(18-8-16-12)19-9-17-13/h4-9H,1-3H2,(H,16,17,18,19).
What are the key properties of 6-[3-(4-fluorophenyl)propyl]-7H-purine?
6-[3-(4-fluorophenyl)propyl]-7H-purine has a molecular weight of 256.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)propyl]-7H-purine is sourced from PubChem (CID 158547626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).