6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine

C11H15ClN4O — CID 103283689

IUPAC6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCCCC(C)COc1nc(Cl)nc2[nH]ncc12
InChIInChI=1S/C11H15ClN4O/c1-3-4-7(2)6-17-10-8-5-13-16-9(8)14-11(12)15-10/h5,7H,3-4,6H2,1-2H3,(H,13,14,15,16)
InChIKeyKKUWGOWTILOUNL-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.82
Rot. Bonds5

About 6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine

6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 103283689) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID103283689
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCCCC(C)COc1nc(Cl)nc2[nH]ncc12
InChIInChI=1S/C11H15ClN4O/c1-3-4-7(2)6-17-10-8-5-13-16-9(8)14-11(12)15-10/h5,7H,3-4,6H2,1-2H3,(H,13,14,15,16)
InChIKeyKKUWGOWTILOUNL-UHFFFAOYSA-N
XLogP2.82
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine (CID 103283689) is 6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine is CCCC(C)COc1nc(Cl)nc2[nH]ncc12.
What is the InChIKey of 6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is KKUWGOWTILOUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-3-4-7(2)6-17-10-8-5-13-16-9(8)14-11(12)15-10/h5,7H,3-4,6H2,1-2H3,(H,13,14,15,16).
What are the key properties of 6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine?
6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 254.72 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 103283689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).