2-chloro-9-(4-propan-2-yloxyphenyl)purine

C14H13ClN4O — CID 134179375

IUPAC2-chloro-9-(4-propan-2-yloxyphenyl)purine
SMILESCC(C)Oc1ccc(-n2cnc3cnc(Cl)nc32)cc1
InChIInChI=1S/C14H13ClN4O/c1-9(2)20-11-5-3-10(4-6-11)19-8-17-12-7-16-14(15)18-13(12)19/h3-9H,1-2H3
InChIKeyIPWWIXMFLXNCOX-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.26
Rot. Bonds3

About 2-chloro-9-(4-propan-2-yloxyphenyl)purine

2-chloro-9-(4-propan-2-yloxyphenyl)purine (PubChem CID 134179375) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-chloro-9-(4-propan-2-yloxyphenyl)purine.

Molecular Properties

Compound Name2-chloro-9-(4-propan-2-yloxyphenyl)purine
PubChem CID134179375
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name2-chloro-9-(4-propan-2-yloxyphenyl)purine
SMILESCC(C)Oc1ccc(-n2cnc3cnc(Cl)nc32)cc1
InChIInChI=1S/C14H13ClN4O/c1-9(2)20-11-5-3-10(4-6-11)19-8-17-12-7-16-14(15)18-13(12)19/h3-9H,1-2H3
InChIKeyIPWWIXMFLXNCOX-UHFFFAOYSA-N
XLogP3.26
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-5-methyl-1-(4-propan-2-yloxyphenyl)benzimidazole
CID 134179369
2-chloro-5-fluoro-4-(4-propan-2-yloxyphenyl)pyrimidine
CID 79079530
5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid
CID 82484395
1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol
CID 123252574
2-[4-[6-methyl-3-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]phenyl]propan-2-ol
CID 146659111
1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol)
CID 167697970
9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine
CID 68524977
trans-(1S,3S)-3-[[9-(4-ethoxyphenyl)purin-2-yl]amino]cyclopentan-1-ol
CID 90389969
3-(4-ethoxyphenyl)-6-[1-(4-ethylphenyl)ethyl]imidazo[4,5-b]pyridine
CID 174999076
6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine
CID 164625204
3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine
CID 114704021
2-chloro-8-methyl-9-phenylpurine
CID 150775860

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-(4-propan-2-yloxyphenyl)purine?
The IUPAC name of 2-chloro-9-(4-propan-2-yloxyphenyl)purine (CID 134179375) is 2-chloro-9-(4-propan-2-yloxyphenyl)purine.
What is the SMILES notation for 2-chloro-9-(4-propan-2-yloxyphenyl)purine?
The canonical SMILES for 2-chloro-9-(4-propan-2-yloxyphenyl)purine is CC(C)Oc1ccc(-n2cnc3cnc(Cl)nc32)cc1.
What is the InChIKey of 2-chloro-9-(4-propan-2-yloxyphenyl)purine?
The InChIKey is IPWWIXMFLXNCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-9(2)20-11-5-3-10(4-6-11)19-8-17-12-7-16-14(15)18-13(12)19/h3-9H,1-2H3.
What are the key properties of 2-chloro-9-(4-propan-2-yloxyphenyl)purine?
2-chloro-9-(4-propan-2-yloxyphenyl)purine has a molecular weight of 288.74 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-(4-propan-2-yloxyphenyl)purine is sourced from PubChem (CID 134179375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).