4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine

C13H20N6 — CID 47292239

IUPAC4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCCN1CCN(c2nc(C)nc3c2cnn3C)CC1
InChIInChI=1S/C13H20N6/c1-4-18-5-7-19(8-6-18)13-11-9-14-17(3)12(11)15-10(2)16-13/h9H,4-8H2,1-3H3
InChIKeyUIHCABLZPYNSLA-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.81
Rot. Bonds2

About 4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine

4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine (PubChem CID 47292239) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
PubChem CID47292239
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCCN1CCN(c2nc(C)nc3c2cnn3C)CC1
InChIInChI=1S/C13H20N6/c1-4-18-5-7-19(8-6-18)13-11-9-14-17(3)12(11)15-10(2)16-13/h9H,4-8H2,1-3H3
InChIKeyUIHCABLZPYNSLA-UHFFFAOYSA-N
XLogP0.81
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethylpiperazin-1-yl)-1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 56890443
1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 47292699
4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 53039070
2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride
CID 146059668
3-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982781
4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154829125
6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride
CID 146059672
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704533
1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795404
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154882886
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-ethoxybutan-1-one
CID 56805694
4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide
CID 171998145

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine (CID 47292239) is 4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine is CCN1CCN(c2nc(C)nc3c2cnn3C)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The InChIKey is UIHCABLZPYNSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-18-5-7-19(8-6-18)13-11-9-14-17(3)12(11)15-10(2)16-13/h9H,4-8H2,1-3H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine has a molecular weight of 260.34 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 47292239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).