2,7-dimethyl-8-(1-phenylpropyl)purine

C16H18N4 — CID 166762892

IUPAC2,7-dimethyl-8-(1-phenylpropyl)purine
SMILESCCC(c1ccccc1)c1nc2nc(C)ncc2n1C
InChIInChI=1S/C16H18N4/c1-4-13(12-8-6-5-7-9-12)16-19-15-14(20(16)3)10-17-11(2)18-15/h5-10,13H,4H2,1-3H3
InChIKeyVUQBCWDTKHJTPY-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.21
Rot. Bonds3

About 2,7-dimethyl-8-(1-phenylpropyl)purine

2,7-dimethyl-8-(1-phenylpropyl)purine (PubChem CID 166762892) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2,7-dimethyl-8-(1-phenylpropyl)purine.

Molecular Properties

Compound Name2,7-dimethyl-8-(1-phenylpropyl)purine
PubChem CID166762892
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2,7-dimethyl-8-(1-phenylpropyl)purine
SMILESCCC(c1ccccc1)c1nc2nc(C)ncc2n1C
InChIInChI=1S/C16H18N4/c1-4-13(12-8-6-5-7-9-12)16-19-15-14(20(16)3)10-17-11(2)18-15/h5-10,13H,4H2,1-3H3
InChIKeyVUQBCWDTKHJTPY-UHFFFAOYSA-N
XLogP3.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-(1-phenylpropyl)purine?
The IUPAC name of 2,7-dimethyl-8-(1-phenylpropyl)purine (CID 166762892) is 2,7-dimethyl-8-(1-phenylpropyl)purine.
What is the SMILES notation for 2,7-dimethyl-8-(1-phenylpropyl)purine?
The canonical SMILES for 2,7-dimethyl-8-(1-phenylpropyl)purine is CCC(c1ccccc1)c1nc2nc(C)ncc2n1C.
What is the InChIKey of 2,7-dimethyl-8-(1-phenylpropyl)purine?
The InChIKey is VUQBCWDTKHJTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-4-13(12-8-6-5-7-9-12)16-19-15-14(20(16)3)10-17-11(2)18-15/h5-10,13H,4H2,1-3H3.
What are the key properties of 2,7-dimethyl-8-(1-phenylpropyl)purine?
2,7-dimethyl-8-(1-phenylpropyl)purine has a molecular weight of 266.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-8-(1-phenylpropyl)purine is sourced from PubChem (CID 166762892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).