6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine

C19H18N4O2S — CID 155753614

IUPAC6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine
SMILESCCc1ccc(-c2nc(-c3cc(OC)cc(OC)c3)c3[nH]cnc3n2)s1
InChIInChI=1S/C19H18N4O2S/c1-4-14-5-6-15(26-14)18-22-16(17-19(23-18)21-10-20-17)11-7-12(24-2)9-13(8-11)25-3/h5-10H,4H2,1-3H3,(H,20,21,22,23)
InChIKeyURVQOXGPKNNORA-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.33
Rot. Bonds5

About 6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine

6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine (PubChem CID 155753614) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine
PubChem CID155753614
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine
SMILESCCc1ccc(-c2nc(-c3cc(OC)cc(OC)c3)c3[nH]cnc3n2)s1
InChIInChI=1S/C19H18N4O2S/c1-4-14-5-6-15(26-14)18-22-16(17-19(23-18)21-10-20-17)11-7-12(24-2)9-13(8-11)25-3/h5-10H,4H2,1-3H3,(H,20,21,22,23)
InChIKeyURVQOXGPKNNORA-UHFFFAOYSA-N
XLogP4.33
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine (CID 155753614) is 6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine is CCc1ccc(-c2nc(-c3cc(OC)cc(OC)c3)c3[nH]cnc3n2)s1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine?
The InChIKey is URVQOXGPKNNORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-4-14-5-6-15(26-14)18-22-16(17-19(23-18)21-10-20-17)11-7-12(24-2)9-13(8-11)25-3/h5-10H,4H2,1-3H3,(H,20,21,22,23).
What are the key properties of 6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine?
6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine has a molecular weight of 366.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine is sourced from PubChem (CID 155753614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).