2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline

C13H12ClN5 — CID 91324401

IUPAC2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-n1ncc2c(Cl)ncnc21
InChIInChI=1S/C13H12ClN5/c1-18(2)10-5-3-4-6-11(10)19-13-9(7-17-19)12(14)15-8-16-13/h3-8H,1-2H3
InChIKeyWNILJAQZFXBQCU-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.53
Rot. Bonds2

About 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline

2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline (PubChem CID 91324401) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline
PubChem CID91324401
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC Name2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-n1ncc2c(Cl)ncnc21
InChIInChI=1S/C13H12ClN5/c1-18(2)10-5-3-4-6-11(10)19-13-9(7-17-19)12(14)15-8-16-13/h3-8H,1-2H3
InChIKeyWNILJAQZFXBQCU-UHFFFAOYSA-N
XLogP2.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 42281587
4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 11207298
2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline
CID 125484213
[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 82192496
4-chloro-1-(4-fluoro-2-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidine
CID 169121260
4-chloro-1-[2-(difluoromethyl)-4-fluorophenyl]pyrazolo[5,4-d]pyrimidine
CID 169121498
1-bromo-4-chloropyrazolo[5,4-d]pyrimidine
CID 151218537
N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 110432057
[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 4737111
4-chloro-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-d]pyrimidine
CID 71377348
4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine
CID 142971941
1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 17017469

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline?
The IUPAC name of 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline (CID 91324401) is 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline is CN(C)c1ccccc1-n1ncc2c(Cl)ncnc21.
What is the InChIKey of 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline?
The InChIKey is WNILJAQZFXBQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-18(2)10-5-3-4-6-11(10)19-13-9(7-17-19)12(14)15-8-16-13/h3-8H,1-2H3.
What are the key properties of 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline?
2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline has a molecular weight of 273.73 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 91324401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).