2-(4-chloro-2-methoxyphenyl)-9-methylpurine

C13H11ClN4O — CID 175396695

IUPAC2-(4-chloro-2-methoxyphenyl)-9-methylpurine
SMILESCOc1cc(Cl)ccc1-c1ncc2ncn(C)c2n1
InChIInChI=1S/C13H11ClN4O/c1-18-7-16-10-6-15-12(17-13(10)18)9-4-3-8(14)5-11(9)19-2/h3-7H,1-2H3
InChIKeyIVXUAKIEYMHIGT-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.69
Rot. Bonds2

About 2-(4-chloro-2-methoxyphenyl)-9-methylpurine

2-(4-chloro-2-methoxyphenyl)-9-methylpurine (PubChem CID 175396695) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-9-methylpurine.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-9-methylpurine
PubChem CID175396695
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name2-(4-chloro-2-methoxyphenyl)-9-methylpurine
SMILESCOc1cc(Cl)ccc1-c1ncc2ncn(C)c2n1
InChIInChI=1S/C13H11ClN4O/c1-18-7-16-10-6-15-12(17-13(10)18)9-4-3-8(14)5-11(9)19-2/h3-7H,1-2H3
InChIKeyIVXUAKIEYMHIGT-UHFFFAOYSA-N
XLogP2.69
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373
5-amino-3-(4-chloro-2-methoxyphenyl)-N-methyl-1,2,4-triazole-1-carbothioamide
CID 10494269
2-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 106818875
4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline
CID 63085175
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876
2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole
CID 64723337
6-(4-chloro-2-methoxyphenyl)pyridin-3-ol
CID 53229509
2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile
CID 170226697
2-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 106818696
9-methyl-2-(3-methylsulfonylphenyl)purine
CID 157019407
2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983776

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-9-methylpurine?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-9-methylpurine (CID 175396695) is 2-(4-chloro-2-methoxyphenyl)-9-methylpurine.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-9-methylpurine?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-9-methylpurine is COc1cc(Cl)ccc1-c1ncc2ncn(C)c2n1.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-9-methylpurine?
The InChIKey is IVXUAKIEYMHIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-18-7-16-10-6-15-12(17-13(10)18)9-4-3-8(14)5-11(9)19-2/h3-7H,1-2H3.
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-9-methylpurine?
2-(4-chloro-2-methoxyphenyl)-9-methylpurine has a molecular weight of 274.71 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-9-methylpurine is sourced from PubChem (CID 175396695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).