2-(4-ethylphenyl)-7-methylpurine

C14H14N4 — CID 163305532

IUPAC2-(4-ethylphenyl)-7-methylpurine
SMILESCCc1ccc(-c2ncc3c(ncn3C)n2)cc1
InChIInChI=1S/C14H14N4/c1-3-10-4-6-11(7-5-10)13-15-8-12-14(17-13)16-9-18(12)2/h4-9H,3H2,1-2H3
InChIKeyCXMANXNIQHTUIT-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.59
Rot. Bonds2

About 2-(4-ethylphenyl)-7-methylpurine

2-(4-ethylphenyl)-7-methylpurine (PubChem CID 163305532) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-7-methylpurine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-7-methylpurine
PubChem CID163305532
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-(4-ethylphenyl)-7-methylpurine
SMILESCCc1ccc(-c2ncc3c(ncn3C)n2)cc1
InChIInChI=1S/C14H14N4/c1-3-10-4-6-11(7-5-10)13-15-8-12-14(17-13)16-9-18(12)2/h4-9H,3H2,1-2H3
InChIKeyCXMANXNIQHTUIT-UHFFFAOYSA-N
XLogP2.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-methylimidazo[4,5-b]pyridine
CID 142220331
2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine
CID 157018415
2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 82169279
N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine
CID 162630034
2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740532
N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine
CID 66302305
5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
CID 66301850
2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine
CID 141181489
4-(diethylamino)-2-(4-ethylphenyl)pyrimidine-5-carboxylic acid
CID 82169267
N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline
CID 172689218
1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 62770310
N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55114017

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-7-methylpurine?
The IUPAC name of 2-(4-ethylphenyl)-7-methylpurine (CID 163305532) is 2-(4-ethylphenyl)-7-methylpurine.
What is the SMILES notation for 2-(4-ethylphenyl)-7-methylpurine?
The canonical SMILES for 2-(4-ethylphenyl)-7-methylpurine is CCc1ccc(-c2ncc3c(ncn3C)n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-7-methylpurine?
The InChIKey is CXMANXNIQHTUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-3-10-4-6-11(7-5-10)13-15-8-12-14(17-13)16-9-18(12)2/h4-9H,3H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-7-methylpurine?
2-(4-ethylphenyl)-7-methylpurine has a molecular weight of 238.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-7-methylpurine is sourced from PubChem (CID 163305532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).