8-(2-tert-butylphenyl)-7H-purine

C15H16N4 — CID 114402739

IUPAC8-(2-tert-butylphenyl)-7H-purine
SMILESCC(C)(C)c1ccccc1-c1nc2ncncc2[nH]1
InChIInChI=1S/C15H16N4/c1-15(2,3)11-7-5-4-6-10(11)13-18-12-8-16-9-17-14(12)19-13/h4-9H,1-3H3,(H,16,17,18,19)
InChIKeyBJWPDJHHYIRBOQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.32
Rot. Bonds1

About 8-(2-tert-butylphenyl)-7H-purine

8-(2-tert-butylphenyl)-7H-purine (PubChem CID 114402739) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 8-(2-tert-butylphenyl)-7H-purine.

Molecular Properties

Compound Name8-(2-tert-butylphenyl)-7H-purine
PubChem CID114402739
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name8-(2-tert-butylphenyl)-7H-purine
SMILESCC(C)(C)c1ccccc1-c1nc2ncncc2[nH]1
InChIInChI=1S/C15H16N4/c1-15(2,3)11-7-5-4-6-10(11)13-18-12-8-16-9-17-14(12)19-13/h4-9H,1-3H3,(H,16,17,18,19)
InChIKeyBJWPDJHHYIRBOQ-UHFFFAOYSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2-tert-butylphenyl)-7H-purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-(7H-purin-8-yl)aniline
CID 114401929
5-(7H-purin-8-yl)quinoxaline
CID 114402530
2-methoxy-6-(7H-purin-8-yl)phenol
CID 137000895
N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine
CID 114401895
8-(2,5-dimethoxyphenyl)-7H-purine
CID 114402502
3-methoxy-4-(7H-purin-8-yl)benzoic acid
CID 13284530
2-methoxy-3-phenyl-6-(7H-purin-8-yl)benzonitrile
CID 69031372
8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617
(9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide
CID 67360207
8-(2-methoxy-3-prop-2-enylsulfanylphenyl)-7H-purine
CID 70499425
8-(3-methylthiophen-2-yl)-7H-purine
CID 114402599
8-(3,4,5-trimethoxyphenyl)-7H-purine
CID 114402745

Frequently Asked Questions

What is the IUPAC name of 8-(2-tert-butylphenyl)-7H-purine?
The IUPAC name of 8-(2-tert-butylphenyl)-7H-purine (CID 114402739) is 8-(2-tert-butylphenyl)-7H-purine.
What is the SMILES notation for 8-(2-tert-butylphenyl)-7H-purine?
The canonical SMILES for 8-(2-tert-butylphenyl)-7H-purine is CC(C)(C)c1ccccc1-c1nc2ncncc2[nH]1.
What is the InChIKey of 8-(2-tert-butylphenyl)-7H-purine?
The InChIKey is BJWPDJHHYIRBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-15(2,3)11-7-5-4-6-10(11)13-18-12-8-16-9-17-14(12)19-13/h4-9H,1-3H3,(H,16,17,18,19).
What are the key properties of 8-(2-tert-butylphenyl)-7H-purine?
8-(2-tert-butylphenyl)-7H-purine has a molecular weight of 252.32 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-tert-butylphenyl)-7H-purine is sourced from PubChem (CID 114402739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).