N-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine

C9H13N5O — CID 62347653

IUPACN-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine
SMILESCNCCOc1ncnc2c1cnn2C
InChIInChI=1S/C9H13N5O/c1-10-3-4-15-9-7-5-13-14(2)8(7)11-6-12-9/h5-6,10H,3-4H2,1-2H3
InChIKeyQZPNOPSSPKIFLI-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.04
Rot. Bonds4

About N-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine

N-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine (PubChem CID 62347653) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine
PubChem CID62347653
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine
SMILESCNCCOc1ncnc2c1cnn2C
InChIInChI=1S/C9H13N5O/c1-10-3-4-15-9-7-5-13-14(2)8(7)11-6-12-9/h5-6,10H,3-4H2,1-2H3
InChIKeyQZPNOPSSPKIFLI-UHFFFAOYSA-N
XLogP-0.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.04
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-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine?
The IUPAC name of N-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine (CID 62347653) is N-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine?
The canonical SMILES for N-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine is CNCCOc1ncnc2c1cnn2C.
What is the InChIKey of N-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine?
The InChIKey is QZPNOPSSPKIFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-10-3-4-15-9-7-5-13-14(2)8(7)11-6-12-9/h5-6,10H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine?
N-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine has a molecular weight of 207.24 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanamine is sourced from PubChem (CID 62347653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).