6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H14ClN5 — CID 82460149

IUPAC6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1ccccc1-n1ncc2c(NC)nc(Cl)nc21
InChIInChI=1S/C14H14ClN5/c1-3-9-6-4-5-7-11(9)20-13-10(8-17-20)12(16-2)18-14(15)19-13/h4-8H,3H2,1-2H3,(H,16,18,19)
InChIKeyNHFQRGYIZHRZEJ-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.07
Rot. Bonds3

About 6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 82460149) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID82460149
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1ccccc1-n1ncc2c(NC)nc(Cl)nc21
InChIInChI=1S/C14H14ClN5/c1-3-9-6-4-5-7-11(9)20-13-10(8-17-20)12(16-2)18-14(15)19-13/h4-8H,3H2,1-2H3,(H,16,18,19)
InChIKeyNHFQRGYIZHRZEJ-UHFFFAOYSA-N
XLogP3.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine
CID 170093134
1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 42670663
N-butyl-6-chloro-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 12847866
4-(chloromethyl)-1-(2-ethylphenyl)-5-methylpyrazole
CID 82528707
6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82460156
1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726304
1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80725826
2-chloro-9-[(2-chlorophenyl)methyl]-N-methylpurin-6-amine
CID 54051665
1-(4-chloro-3-fluorophenyl)-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726222
[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 82293937
1-[(2-bromophenyl)methyl]-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726333
5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82528696

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 82460149) is 6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1ccccc1-n1ncc2c(NC)nc(Cl)nc21.
What is the InChIKey of 6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NHFQRGYIZHRZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-3-9-6-4-5-7-11(9)20-13-10(8-17-20)12(16-2)18-14(15)19-13/h4-8H,3H2,1-2H3,(H,16,18,19).
What are the key properties of 6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 287.75 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 82460149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).