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

C15H24N6O — CID 56904467

IUPAC6-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCCc1nc(N2CCN(CCOC)CC2)c2cnn(C)c2n1
InChIInChI=1S/C15H24N6O/c1-4-13-17-14-12(11-16-19(14)2)15(18-13)21-7-5-20(6-8-21)9-10-22-3/h11H,4-10H2,1-3H3
InChIKeyZRGBYHXUKDKFAS-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.69
Rot. Bonds5

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

6-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 56904467) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID56904467
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name6-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCCc1nc(N2CCN(CCOC)CC2)c2cnn(C)c2n1
InChIInChI=1S/C15H24N6O/c1-4-13-17-14-12(11-16-19(14)2)15(18-13)21-7-5-20(6-8-21)9-10-22-3/h11H,4-10H2,1-3H3
InChIKeyZRGBYHXUKDKFAS-UHFFFAOYSA-N
XLogP0.69
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 56904467) is 6-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is CCc1nc(N2CCN(CCOC)CC2)c2cnn(C)c2n1.
What is the InChIKey of 6-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is ZRGBYHXUKDKFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-4-13-17-14-12(11-16-19(14)2)15(18-13)21-7-5-20(6-8-21)9-10-22-3/h11H,4-10H2,1-3H3.
What are the key properties of 6-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
6-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 304.40 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56904467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).