8-(3,4,5-trimethoxyphenyl)-7H-purine

C14H14N4O3 — CID 114402745

IUPAC8-(3,4,5-trimethoxyphenyl)-7H-purine
SMILESCOc1cc(-c2nc3ncncc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C14H14N4O3/c1-19-10-4-8(5-11(20-2)12(10)21-3)13-17-9-6-15-7-16-14(9)18-13/h4-7H,1-3H3,(H,15,16,17,18)
InChIKeyQJCCAGBNYGLHPF-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.05
Rot. Bonds4

About 8-(3,4,5-trimethoxyphenyl)-7H-purine

8-(3,4,5-trimethoxyphenyl)-7H-purine (PubChem CID 114402745) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 8-(3,4,5-trimethoxyphenyl)-7H-purine.

Molecular Properties

Compound Name8-(3,4,5-trimethoxyphenyl)-7H-purine
PubChem CID114402745
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name8-(3,4,5-trimethoxyphenyl)-7H-purine
SMILESCOc1cc(-c2nc3ncncc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C14H14N4O3/c1-19-10-4-8(5-11(20-2)12(10)21-3)13-17-9-6-15-7-16-14(9)18-13/h4-7H,1-3H3,(H,15,16,17,18)
InChIKeyQJCCAGBNYGLHPF-UHFFFAOYSA-N
XLogP2.05
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2,5-dimethoxyphenyl)-7H-purine
CID 114402502
8-(5-methylfuran-3-yl)-7H-purine
CID 114821646
2,6-dichloro-4-(7H-purin-8-yl)aniline
CID 114402139
3-methoxy-4-(7H-purin-8-yl)benzoic acid
CID 13284530
2-methoxy-6-(7H-purin-8-yl)phenol
CID 137000895
8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617
8-thiophen-3-yl-7H-purine
CID 114402602
8-(5-bromo-3-pyridinyl)-7H-purine
CID 114402746
3-chloro-5-(7H-purin-8-yl)phenol
CID 167797751
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine
CID 167832358
2-methoxy-3-phenyl-6-(7H-purin-8-yl)benzonitrile
CID 69031372

Frequently Asked Questions

What is the IUPAC name of 8-(3,4,5-trimethoxyphenyl)-7H-purine?
The IUPAC name of 8-(3,4,5-trimethoxyphenyl)-7H-purine (CID 114402745) is 8-(3,4,5-trimethoxyphenyl)-7H-purine.
What is the SMILES notation for 8-(3,4,5-trimethoxyphenyl)-7H-purine?
The canonical SMILES for 8-(3,4,5-trimethoxyphenyl)-7H-purine is COc1cc(-c2nc3ncncc3[nH]2)cc(OC)c1OC.
What is the InChIKey of 8-(3,4,5-trimethoxyphenyl)-7H-purine?
The InChIKey is QJCCAGBNYGLHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-19-10-4-8(5-11(20-2)12(10)21-3)13-17-9-6-15-7-16-14(9)18-13/h4-7H,1-3H3,(H,15,16,17,18).
What are the key properties of 8-(3,4,5-trimethoxyphenyl)-7H-purine?
8-(3,4,5-trimethoxyphenyl)-7H-purine has a molecular weight of 286.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4,5-trimethoxyphenyl)-7H-purine is sourced from PubChem (CID 114402745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).