dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium

C15H19N6+ — CID 6953713

IUPACdimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
SMILESC[NH+](C)CCNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C15H18N6/c1-20(2)9-8-16-14-13-10-19-21(15(13)18-11-17-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,17,18)/p+1
InChIKeyHUDXUPBLGSAGNG-UHFFFAOYSA-O
MW283.36 g/mol
LogP0.37
Rot. Bonds5

About dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium

dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium (PubChem CID 6953713) has the molecular formula C15H19N6+ and a molecular weight of 283.36 g/mol. Its IUPAC name is dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
PubChem CID6953713
Molecular FormulaC15H19N6+
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Namedimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
SMILESC[NH+](C)CCNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C15H18N6/c1-20(2)9-8-16-14-13-10-19-21(15(13)18-11-17-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,17,18)/p+1
InChIKeyHUDXUPBLGSAGNG-UHFFFAOYSA-O
XLogP0.37
TPSA60.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 866514
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057
N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 78878674
N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 133285646
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
1-(3-methylphenyl)-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866417
1-(3-chloro-4-methylphenyl)-N-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017502
1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022262
1-(3-bromophenyl)-N-butylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432149
N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 8549579
2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium?
The IUPAC name of dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium (CID 6953713) is dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium is C[NH+](C)CCNc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium?
The InChIKey is HUDXUPBLGSAGNG-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N6/c1-20(2)9-8-16-14-13-10-19-21(15(13)18-11-17-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,17,18)/p+1.
What are the key properties of dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium?
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium has a molecular weight of 283.36 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium is sourced from PubChem (CID 6953713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).