2,6-bis(4-methylphenyl)-7H-purine

C19H16N4 — CID 11709210

IUPAC2,6-bis(4-methylphenyl)-7H-purine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H16N4/c1-12-3-7-14(8-4-12)16-17-19(21-11-20-17)23-18(22-16)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,20,21,22,23)
InChIKeyDEIRTPFLGXETKT-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.30
Rot. Bonds2

About 2,6-bis(4-methylphenyl)-7H-purine

2,6-bis(4-methylphenyl)-7H-purine (PubChem CID 11709210) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2,6-bis(4-methylphenyl)-7H-purine.

Molecular Properties

Compound Name2,6-bis(4-methylphenyl)-7H-purine
PubChem CID11709210
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name2,6-bis(4-methylphenyl)-7H-purine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H16N4/c1-12-3-7-14(8-4-12)16-17-19(21-11-20-17)23-18(22-16)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,20,21,22,23)
InChIKeyDEIRTPFLGXETKT-UHFFFAOYSA-N
XLogP4.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzylaminopurine
CID 62389
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
9-(2-phenylethyl)-9H-purin-6-amine
CID 309375
Luf-5962
CID 11617054
Ralimetinib
CID 11539025
N-(2-phenylethyl)-9H-purin-6-amine
CID 756669
7H-Adenine, N-(p-fluorophenyl)-
CID 51998
N6-(4-Nitrobenzyl)-N2-[3-(trifluoromethyl)benzyl]-3H-purine-2,6-diamine
CID 16760513
(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
CID 10137573
BN-81,644
CID 9802572
8-cyclohexyl-2,6-diphenyl-9H-purine
CID 11523232
8-isopropyl-2,6-diphenyl-9H-purine
CID 11536936

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methylphenyl)-7H-purine?
The IUPAC name of 2,6-bis(4-methylphenyl)-7H-purine (CID 11709210) is 2,6-bis(4-methylphenyl)-7H-purine.
What is the SMILES notation for 2,6-bis(4-methylphenyl)-7H-purine?
The canonical SMILES for 2,6-bis(4-methylphenyl)-7H-purine is Cc1ccc(-c2nc(-c3ccc(C)cc3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 2,6-bis(4-methylphenyl)-7H-purine?
The InChIKey is DEIRTPFLGXETKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-12-3-7-14(8-4-12)16-17-19(21-11-20-17)23-18(22-16)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,20,21,22,23).
What are the key properties of 2,6-bis(4-methylphenyl)-7H-purine?
2,6-bis(4-methylphenyl)-7H-purine has a molecular weight of 300.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methylphenyl)-7H-purine is sourced from PubChem (CID 11709210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).