6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C10H15N5O2 — CID 67144956

IUPAC6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCOCCc1nc(N)c2cn[nH]c2n1
InChIInChI=1S/C10H15N5O2/c1-16-4-5-17-3-2-8-13-9(11)7-6-12-15-10(7)14-8/h6H,2-5H2,1H3,(H3,11,12,13,14,15)
InChIKeyPXTFIEVAXQYMTI-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.14
Rot. Bonds6

About 6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 67144956) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID67144956
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCOCCc1nc(N)c2cn[nH]c2n1
InChIInChI=1S/C10H15N5O2/c1-16-4-5-17-3-2-8-13-9(11)7-6-12-15-10(7)14-8/h6H,2-5H2,1H3,(H3,11,12,13,14,15)
InChIKeyPXTFIEVAXQYMTI-UHFFFAOYSA-N
XLogP0.14
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 67144956) is 6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine is COCCOCCc1nc(N)c2cn[nH]c2n1.
What is the InChIKey of 6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PXTFIEVAXQYMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-16-4-5-17-3-2-8-13-9(11)7-6-12-15-10(7)14-8/h6H,2-5H2,1H3,(H3,11,12,13,14,15).
What are the key properties of 6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 237.26 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 67144956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).