4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine

C14H22N6O — CID 136569244

IUPAC4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCOCCC1CNCCN1c1nc(C)nc2c1cnn2C
InChIInChI=1S/C14H22N6O/c1-10-17-13-12(9-16-19(13)2)14(18-10)20-6-5-15-8-11(20)4-7-21-3/h9,11,15H,4-8H2,1-3H3
InChIKeyQSFFTDVQPCVWQM-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.49
Rot. Bonds4

About 4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine

4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine (PubChem CID 136569244) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
PubChem CID136569244
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCOCCC1CNCCN1c1nc(C)nc2c1cnn2C
InChIInChI=1S/C14H22N6O/c1-10-17-13-12(9-16-19(13)2)14(18-10)20-6-5-15-8-11(20)4-7-21-3/h9,11,15H,4-8H2,1-3H3
InChIKeyQSFFTDVQPCVWQM-UHFFFAOYSA-N
XLogP0.49
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine (CID 136569244) is 4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine is COCCC1CNCCN1c1nc(C)nc2c1cnn2C.
What is the InChIKey of 4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The InChIKey is QSFFTDVQPCVWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-10-17-13-12(9-16-19(13)2)14(18-10)20-6-5-15-8-11(20)4-7-21-3/h9,11,15H,4-8H2,1-3H3.
What are the key properties of 4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine has a molecular weight of 290.37 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 136569244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).