N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C16H19FN6 — CID 110432057

IUPACN-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1ncnc2c1cnn2-c1ccccc1F
InChIInChI=1S/C16H19FN6/c1-22(2)9-5-8-18-15-12-10-21-23(16(12)20-11-19-15)14-7-4-3-6-13(14)17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,18,19,20)
InChIKeyRFOBRXGYWDQVHI-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.32
Rot. Bonds6

About N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 110432057) has the molecular formula C16H19FN6 and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID110432057
Molecular FormulaC16H19FN6
Molecular Weight314.37 g/mol
Exact Mass314.17
IUPAC NameN-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1ncnc2c1cnn2-c1ccccc1F
InChIInChI=1S/C16H19FN6/c1-22(2)9-5-8-18-15-12-10-21-23(16(12)20-11-19-15)14-7-4-3-6-13(14)17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,18,19,20)
InChIKeyRFOBRXGYWDQVHI-UHFFFAOYSA-N
XLogP2.32
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 110432089
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432056
N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 78878674
1-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432065
N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 39864101
1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726304
3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
CID 110435024
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
2-[[1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 110432120
N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 133285646
2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 30877188
N'-[1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]propane-1,3-diamine
CID 82191658

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 110432057) is N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1ncnc2c1cnn2-c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is RFOBRXGYWDQVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6/c1-22(2)9-5-8-18-15-12-10-21-23(16(12)20-11-19-15)14-7-4-3-6-13(14)17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 314.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 110432057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).