N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C13H12ClN5 — CID 110875095

IUPACN-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cc(C)c(Nc2ncnc3[nH]ncc23)c(Cl)c1
InChIInChI=1S/C13H12ClN5/c1-7-3-8(2)11(10(14)4-7)18-12-9-5-17-19-13(9)16-6-15-12/h3-6H,1-2H3,(H2,15,16,17,18,19)
InChIKeyGUXCLUCLRVGUSI-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.37
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 110875095) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID110875095
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cc(C)c(Nc2ncnc3[nH]ncc23)c(Cl)c1
InChIInChI=1S/C13H12ClN5/c1-7-3-8(2)11(10(14)4-7)18-12-9-5-17-19-13(9)16-6-15-12/h3-6H,1-2H3,(H2,15,16,17,18,19)
InChIKeyGUXCLUCLRVGUSI-UHFFFAOYSA-N
XLogP3.37
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-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

N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110875096
N-(2-chloro-4,6-dimethylphenyl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110659942
4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine
CID 141449290
ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 143782754
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133377232
1-(4-chlorophenyl)-N-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4082477
N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 42226838
N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 711496
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133305144
4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide
CID 142065920
6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile
CID 82120847
5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine
CID 82094933

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 110875095) is N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1cc(C)c(Nc2ncnc3[nH]ncc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is GUXCLUCLRVGUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-7-3-8(2)11(10(14)4-7)18-12-9-5-17-19-13(9)16-6-15-12/h3-6H,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 273.73 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110875095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).