6-phenyl-8-propan-2-yl-7H-purine

C14H14N4 — CID 58159009

IUPAC6-phenyl-8-propan-2-yl-7H-purine
SMILESCC(C)c1nc2ncnc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C14H14N4/c1-9(2)13-17-12-11(10-6-4-3-5-7-10)15-8-16-14(12)18-13/h3-9H,1-2H3,(H,15,16,17,18)
InChIKeyQAQPZEJBBFZNLX-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.14
Rot. Bonds2

About 6-phenyl-8-propan-2-yl-7H-purine

6-phenyl-8-propan-2-yl-7H-purine (PubChem CID 58159009) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-phenyl-8-propan-2-yl-7H-purine.

Molecular Properties

Compound Name6-phenyl-8-propan-2-yl-7H-purine
PubChem CID58159009
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name6-phenyl-8-propan-2-yl-7H-purine
SMILESCC(C)c1nc2ncnc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C14H14N4/c1-9(2)13-17-12-11(10-6-4-3-5-7-10)15-8-16-14(12)18-13/h3-9H,1-2H3,(H,15,16,17,18)
InChIKeyQAQPZEJBBFZNLX-UHFFFAOYSA-N
XLogP3.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-8-propan-2-yl-7H-purine?
The IUPAC name of 6-phenyl-8-propan-2-yl-7H-purine (CID 58159009) is 6-phenyl-8-propan-2-yl-7H-purine.
What is the SMILES notation for 6-phenyl-8-propan-2-yl-7H-purine?
The canonical SMILES for 6-phenyl-8-propan-2-yl-7H-purine is CC(C)c1nc2ncnc(-c3ccccc3)c2[nH]1.
What is the InChIKey of 6-phenyl-8-propan-2-yl-7H-purine?
The InChIKey is QAQPZEJBBFZNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9(2)13-17-12-11(10-6-4-3-5-7-10)15-8-16-14(12)18-13/h3-9H,1-2H3,(H,15,16,17,18).
What are the key properties of 6-phenyl-8-propan-2-yl-7H-purine?
6-phenyl-8-propan-2-yl-7H-purine has a molecular weight of 238.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-8-propan-2-yl-7H-purine is sourced from PubChem (CID 58159009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).