N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C13H11Cl2N5 — CID 110434913

IUPACN-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(Nc3cc(Cl)cc(Cl)c3)c12
InChIInChI=1S/C13H11Cl2N5/c1-7-11-12(16-6-17-13(11)20(2)19-7)18-10-4-8(14)3-9(15)5-10/h3-6H,1-2H3,(H,16,17,18)
InChIKeyYKUWRENEDIKCOS-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.72
Rot. Bonds2

About N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110434913) has the molecular formula C13H11Cl2N5 and a molecular weight of 308.17 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110434913
Molecular FormulaC13H11Cl2N5
Molecular Weight308.17 g/mol
Exact Mass307.04
IUPAC NameN-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(Nc3cc(Cl)cc(Cl)c3)c12
InChIInChI=1S/C13H11Cl2N5/c1-7-11-12(16-6-17-13(11)20(2)19-7)18-10-4-8(14)3-9(15)5-10/h3-6H,1-2H3,(H,16,17,18)
InChIKeyYKUWRENEDIKCOS-UHFFFAOYSA-N
XLogP3.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434946
N-(4-bromophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434878
1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434899
2-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-4-methylphenol
CID 110434921
4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine
CID 13125572
1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431880
N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 56766523
6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine
CID 63735089
N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 110431927
N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431951
1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95872622

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 110434913) is N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2ncnc(Nc3cc(Cl)cc(Cl)c3)c12.
What is the InChIKey of N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YKUWRENEDIKCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N5/c1-7-11-12(16-6-17-13(11)20(2)19-7)18-10-4-8(14)3-9(15)5-10/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 308.17 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110434913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).