8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine

C16H16N4O — CID 154461178

IUPAC8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine
SMILESCc1ccccc1-c1nc2nc(C3CCOC3)ncc2[nH]1
InChIInChI=1S/C16H16N4O/c1-10-4-2-3-5-12(10)15-18-13-8-17-14(19-16(13)20-15)11-6-7-21-9-11/h2-5,8,11H,6-7,9H2,1H3,(H,17,18,19,20)
InChIKeyUDSPVDVBZFGWBV-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.83
Rot. Bonds2

About 8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine

8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine (PubChem CID 154461178) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine.

Molecular Properties

Compound Name8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine
PubChem CID154461178
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine
SMILESCc1ccccc1-c1nc2nc(C3CCOC3)ncc2[nH]1
InChIInChI=1S/C16H16N4O/c1-10-4-2-3-5-12(10)15-18-13-8-17-14(19-16(13)20-15)11-6-7-21-9-11/h2-5,8,11H,6-7,9H2,1H3,(H,17,18,19,20)
InChIKeyUDSPVDVBZFGWBV-UHFFFAOYSA-N
XLogP2.83
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine?
The IUPAC name of 8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine (CID 154461178) is 8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine.
What is the SMILES notation for 8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine?
The canonical SMILES for 8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine is Cc1ccccc1-c1nc2nc(C3CCOC3)ncc2[nH]1.
What is the InChIKey of 8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine?
The InChIKey is UDSPVDVBZFGWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-4-2-3-5-12(10)15-18-13-8-17-14(19-16(13)20-15)11-6-7-21-9-11/h2-5,8,11H,6-7,9H2,1H3,(H,17,18,19,20).
What are the key properties of 8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine?
8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine has a molecular weight of 280.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylphenyl)-2-(oxolan-3-yl)-7H-purine is sourced from PubChem (CID 154461178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).