N-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine

C11H17N5O — CID 55065164

IUPACN-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine
SMILESCC(C)NCCOc1ncnc2c1cnn2C
InChIInChI=1S/C11H17N5O/c1-8(2)12-4-5-17-11-9-6-15-16(3)10(9)13-7-14-11/h6-8,12H,4-5H2,1-3H3
InChIKeyKYDJGWAMZPGVAK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.74
Rot. Bonds5

About N-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine

N-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine (PubChem CID 55065164) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine
PubChem CID55065164
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine
SMILESCC(C)NCCOc1ncnc2c1cnn2C
InChIInChI=1S/C11H17N5O/c1-8(2)12-4-5-17-11-9-6-15-16(3)10(9)13-7-14-11/h6-8,12H,4-5H2,1-3H3
InChIKeyKYDJGWAMZPGVAK-UHFFFAOYSA-N
XLogP0.74
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
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 N-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine?
The IUPAC name of N-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine (CID 55065164) is N-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine?
The canonical SMILES for N-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine is CC(C)NCCOc1ncnc2c1cnn2C.
What is the InChIKey of N-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine?
The InChIKey is KYDJGWAMZPGVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8(2)12-4-5-17-11-9-6-15-16(3)10(9)13-7-14-11/h6-8,12H,4-5H2,1-3H3.
What are the key properties of N-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine?
N-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine has a molecular weight of 235.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethyl]propan-2-amine is sourced from PubChem (CID 55065164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).