2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine

C13H22N6 — CID 106251404

IUPAC2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ncnc2c1cnn2C
InChIInChI=1S/C13H22N6/c1-4-13(5-2,7-14)8-15-11-10-6-18-19(3)12(10)17-9-16-11/h6,9H,4-5,7-8,14H2,1-3H3,(H,15,16,17)
InChIKeyJHBPEJVVFHTZLF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.54
Rot. Bonds6

About 2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine

2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine (PubChem CID 106251404) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
PubChem CID106251404
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ncnc2c1cnn2C
InChIInChI=1S/C13H22N6/c1-4-13(5-2,7-14)8-15-11-10-6-18-19(3)12(10)17-9-16-11/h6,9H,4-5,7-8,14H2,1-3H3,(H,15,16,17)
InChIKeyJHBPEJVVFHTZLF-UHFFFAOYSA-N
XLogP1.54
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine 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

2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63194332
1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115663474
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 113313719
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 78962999
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103970405
2,2-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 114285536
1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 111118297
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942
1-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 171705345

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine (CID 106251404) is 2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine is CCC(CC)(CN)CNc1ncnc2c1cnn2C.
What is the InChIKey of 2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is JHBPEJVVFHTZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-4-13(5-2,7-14)8-15-11-10-6-18-19(3)12(10)17-9-16-11/h6,9H,4-5,7-8,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?
2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 262.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 106251404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).