8-(3-phenylpropyl)-7H-purine

C14H14N4 — CID 114402499

IUPAC8-(3-phenylpropyl)-7H-purine
SMILESc1ccc(CCCc2nc3ncncc3[nH]2)cc1
InChIInChI=1S/C14H14N4/c1-2-5-11(6-3-1)7-4-8-13-17-12-9-15-10-16-14(12)18-13/h1-3,5-6,9-10H,4,7-8H2,(H,15,16,17,18)
InChIKeyGAUNZAOHOJIJCU-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.53
Rot. Bonds4

About 8-(3-phenylpropyl)-7H-purine

8-(3-phenylpropyl)-7H-purine (PubChem CID 114402499) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 8-(3-phenylpropyl)-7H-purine.

Molecular Properties

Compound Name8-(3-phenylpropyl)-7H-purine
PubChem CID114402499
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name8-(3-phenylpropyl)-7H-purine
SMILESc1ccc(CCCc2nc3ncncc3[nH]2)cc1
InChIInChI=1S/C14H14N4/c1-2-5-11(6-3-1)7-4-8-13-17-12-9-15-10-16-14(12)18-13/h1-3,5-6,9-10H,4,7-8H2,(H,15,16,17,18)
InChIKeyGAUNZAOHOJIJCU-UHFFFAOYSA-N
XLogP2.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-phenylpropyl)-7H-purine?
The IUPAC name of 8-(3-phenylpropyl)-7H-purine (CID 114402499) is 8-(3-phenylpropyl)-7H-purine.
What is the SMILES notation for 8-(3-phenylpropyl)-7H-purine?
The canonical SMILES for 8-(3-phenylpropyl)-7H-purine is c1ccc(CCCc2nc3ncncc3[nH]2)cc1.
What is the InChIKey of 8-(3-phenylpropyl)-7H-purine?
The InChIKey is GAUNZAOHOJIJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-5-11(6-3-1)7-4-8-13-17-12-9-15-10-16-14(12)18-13/h1-3,5-6,9-10H,4,7-8H2,(H,15,16,17,18).
What are the key properties of 8-(3-phenylpropyl)-7H-purine?
8-(3-phenylpropyl)-7H-purine has a molecular weight of 238.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-phenylpropyl)-7H-purine is sourced from PubChem (CID 114402499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).