2-(2,5-dimethylphenyl)-7-methylpurine

C14H14N4 — CID 157011737

IUPAC2-(2,5-dimethylphenyl)-7-methylpurine
SMILESCc1ccc(C)c(-c2ncc3c(ncn3C)n2)c1
InChIInChI=1S/C14H14N4/c1-9-4-5-10(2)11(6-9)13-15-7-12-14(17-13)16-8-18(12)3/h4-8H,1-3H3
InChIKeyBQWHHURVDYZAEL-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.65
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-7-methylpurine

2-(2,5-dimethylphenyl)-7-methylpurine (PubChem CID 157011737) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-7-methylpurine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-7-methylpurine
PubChem CID157011737
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-(2,5-dimethylphenyl)-7-methylpurine
SMILESCc1ccc(C)c(-c2ncc3c(ncn3C)n2)c1
InChIInChI=1S/C14H14N4/c1-9-4-5-10(2)11(6-9)13-15-7-12-14(17-13)16-8-18(12)3/h4-8H,1-3H3
InChIKeyBQWHHURVDYZAEL-UHFFFAOYSA-N
XLogP2.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-7-methylpurine
CID 163305532
[2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane
CID 143060384
2-(6-methoxy-1,3-benzodioxol-5-yl)-7-methylpurine
CID 157013233
1,5-dimethylbenzimidazole;ethene
CID 145318091
2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine
CID 157018415
2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66297059
2-(2,5-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 62190972
5-(2-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
CID 97057852
2-(2,5-dimethylphenyl)-4,5-dimethylpyridine
CID 166896824
N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine
CID 162630034
2-(2,5-dimethylphenyl)-5-methyl-1H-imidazole
CID 151776982
2-(2,5-dimethylphenyl)-1H-imidazole
CID 55253579

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-7-methylpurine?
The IUPAC name of 2-(2,5-dimethylphenyl)-7-methylpurine (CID 157011737) is 2-(2,5-dimethylphenyl)-7-methylpurine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-7-methylpurine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-7-methylpurine is Cc1ccc(C)c(-c2ncc3c(ncn3C)n2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-7-methylpurine?
The InChIKey is BQWHHURVDYZAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-4-5-10(2)11(6-9)13-15-7-12-14(17-13)16-8-18(12)3/h4-8H,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-7-methylpurine?
2-(2,5-dimethylphenyl)-7-methylpurine has a molecular weight of 238.29 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-7-methylpurine is sourced from PubChem (CID 157011737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).