8-(2,5-dimethoxyphenyl)-7H-purine

C13H12N4O2 — CID 114402502

IUPAC8-(2,5-dimethoxyphenyl)-7H-purine
SMILESCOc1ccc(OC)c(-c2nc3ncncc3[nH]2)c1
InChIInChI=1S/C13H12N4O2/c1-18-8-3-4-11(19-2)9(5-8)12-16-10-6-14-7-15-13(10)17-12/h3-7H,1-2H3,(H,14,15,16,17)
InChIKeyIYFBLPGPBPAMQD-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.04
Rot. Bonds3

About 8-(2,5-dimethoxyphenyl)-7H-purine

8-(2,5-dimethoxyphenyl)-7H-purine (PubChem CID 114402502) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 8-(2,5-dimethoxyphenyl)-7H-purine.

Molecular Properties

Compound Name8-(2,5-dimethoxyphenyl)-7H-purine
PubChem CID114402502
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name8-(2,5-dimethoxyphenyl)-7H-purine
SMILESCOc1ccc(OC)c(-c2nc3ncncc3[nH]2)c1
InChIInChI=1S/C13H12N4O2/c1-18-8-3-4-11(19-2)9(5-8)12-16-10-6-14-7-15-13(10)17-12/h3-7H,1-2H3,(H,14,15,16,17)
InChIKeyIYFBLPGPBPAMQD-UHFFFAOYSA-N
XLogP2.04
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-methoxy-3-(7H-purin-8-yl)phenoxy]acetate
CID 70490048
8-[2,5-bis(prop-2-ynoxy)phenyl]-7H-purine
CID 88705211
2-methoxy-6-(7H-purin-8-yl)phenol
CID 137000895
3-methoxy-4-(7H-purin-8-yl)benzoic acid
CID 13284530
8-(3,4,5-trimethoxyphenyl)-7H-purine
CID 114402745
2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 62337492
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
2-(2,5-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383043
2-[3-ethoxy-4-(7H-purin-8-yl)phenoxy]acetonitrile
CID 70491024
8-(2-tert-butylphenyl)-7H-purine
CID 114402739
8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine
CID 167823657
2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370448

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethoxyphenyl)-7H-purine?
The IUPAC name of 8-(2,5-dimethoxyphenyl)-7H-purine (CID 114402502) is 8-(2,5-dimethoxyphenyl)-7H-purine.
What is the SMILES notation for 8-(2,5-dimethoxyphenyl)-7H-purine?
The canonical SMILES for 8-(2,5-dimethoxyphenyl)-7H-purine is COc1ccc(OC)c(-c2nc3ncncc3[nH]2)c1.
What is the InChIKey of 8-(2,5-dimethoxyphenyl)-7H-purine?
The InChIKey is IYFBLPGPBPAMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-18-8-3-4-11(19-2)9(5-8)12-16-10-6-14-7-15-13(10)17-12/h3-7H,1-2H3,(H,14,15,16,17).
What are the key properties of 8-(2,5-dimethoxyphenyl)-7H-purine?
8-(2,5-dimethoxyphenyl)-7H-purine has a molecular weight of 256.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethoxyphenyl)-7H-purine is sourced from PubChem (CID 114402502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).