6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine

C13H11ClN4O — CID 176905818

IUPAC6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine
SMILESCOc1cccc(C)c1-n1cc2cnc(Cl)nc2n1
InChIInChI=1S/C13H11ClN4O/c1-8-4-3-5-10(19-2)11(8)18-7-9-6-15-13(14)16-12(9)17-18/h3-7H,1-2H3
InChIKeyWZCCUJWJJSWYKD-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.79
Rot. Bonds2

About 6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine

6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 176905818) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine
PubChem CID176905818
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine
SMILESCOc1cccc(C)c1-n1cc2cnc(Cl)nc2n1
InChIInChI=1S/C13H11ClN4O/c1-8-4-3-5-10(19-2)11(8)18-7-9-6-15-13(14)16-12(9)17-18/h3-7H,1-2H3
InChIKeyWZCCUJWJJSWYKD-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide
CID 170319323
2-chloro-8-methylquinazoline
CID 53416811
1-(2-methoxy-6-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 171826299
2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 79072490
2-(2-methoxyphenyl)pyrazolo[3,4-b]pyridine
CID 70093839
2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline
CID 122648777
N-tert-butylsulfanyl-1-[1-(2-methoxy-6-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanimine
CID 174271468
2-chloro-8-(2-methoxyphenyl)-7H-purine
CID 24904038
4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one
CID 58290014
2-chloro-4-methoxy-5-methylpyrimidine
CID 11051933
2-chloro-N-(2-chloro-6-methylphenyl)-5-methylpyrimidin-4-amine
CID 79073312
1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one
CID 102207415

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine (CID 176905818) is 6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine is COc1cccc(C)c1-n1cc2cnc(Cl)nc2n1.
What is the InChIKey of 6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is WZCCUJWJJSWYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-8-4-3-5-10(19-2)11(8)18-7-9-6-15-13(14)16-12(9)17-18/h3-7H,1-2H3.
What are the key properties of 6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine?
6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 274.71 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 176905818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).