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

C13H11F2N5 — CID 110434946

IUPACN-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(Nc3ccc(F)c(F)c3)c12
InChIInChI=1S/C13H11F2N5/c1-7-11-12(16-6-17-13(11)20(2)19-7)18-8-3-4-9(14)10(15)5-8/h3-6H,1-2H3,(H,16,17,18)
InChIKeyAFXQCPVXJSKSIK-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.69
Rot. Bonds2

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

N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110434946) has the molecular formula C13H11F2N5 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110434946
Molecular FormulaC13H11F2N5
Molecular Weight275.26 g/mol
Exact Mass275.10
IUPAC NameN-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(Nc3ccc(F)c(F)c3)c12
InChIInChI=1S/C13H11F2N5/c1-7-11-12(16-6-17-13(11)20(2)19-7)18-8-3-4-9(14)10(15)5-8/h3-6H,1-2H3,(H,16,17,18)
InChIKeyAFXQCPVXJSKSIK-UHFFFAOYSA-N
XLogP2.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[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

N-(4-bromophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434878
N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434913
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
N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 56766523
1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431880
6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine
CID 19152757
N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110435041
7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 46290375
N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320
N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431893
N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 110431927

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 110434946) is N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2ncnc(Nc3ccc(F)c(F)c3)c12.
What is the InChIKey of N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AFXQCPVXJSKSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5/c1-7-11-12(16-6-17-13(11)20(2)19-7)18-8-3-4-9(14)10(15)5-8/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 275.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110434946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).