6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C13H12ClN5 — CID 82460156

IUPAC6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1ccc(-n2ncc3c(N)nc(Cl)nc32)cc1
InChIInChI=1S/C13H12ClN5/c1-2-8-3-5-9(6-4-8)19-12-10(7-16-19)11(15)17-13(14)18-12/h3-7H,2H2,1H3,(H2,15,17,18)
InChIKeySPNUELZTERQVDK-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.61
Rot. Bonds2

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

6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 82460156) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is 6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID82460156
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC Name6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1ccc(-n2ncc3c(N)nc(Cl)nc32)cc1
InChIInChI=1S/C13H12ClN5/c1-2-8-3-5-9(6-4-8)19-12-10(7-16-19)11(15)17-13(14)18-12/h3-7H,2H2,1H3,(H2,15,17,18)
InChIKeySPNUELZTERQVDK-UHFFFAOYSA-N
XLogP2.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82460182
6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82460127
N-butyl-6-chloro-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 12847866
1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726491
1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24938561
[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]methanethiol
CID 82528669
5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
CID 46172935
1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192766
N'-[1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]propane-1,3-diamine
CID 82191658
6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460149
2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 93214011
6-chloro-1-[(4-ethylphenyl)methyl]-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 166650677

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 82460156) is 6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCc1ccc(-n2ncc3c(N)nc(Cl)nc32)cc1.
What is the InChIKey of 6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SPNUELZTERQVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-2-8-3-5-9(6-4-8)19-12-10(7-16-19)11(15)17-13(14)18-12/h3-7H,2H2,1H3,(H2,15,17,18).
What are the key properties of 6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 273.73 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 82460156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).