3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine

C9H13N5O — CID 62347572

IUPAC3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine
SMILESCn1ncc2c(OCCCN)ncnc21
InChIInChI=1S/C9H13N5O/c1-14-8-7(5-13-14)9(12-6-11-8)15-4-2-3-10/h5-6H,2-4,10H2,1H3
InChIKeyNSFZKQXMYXGDLF-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.09
Rot. Bonds4

About 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine

3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine (PubChem CID 62347572) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine
PubChem CID62347572
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine
SMILESCn1ncc2c(OCCCN)ncnc21
InChIInChI=1S/C9H13N5O/c1-14-8-7(5-13-14)9(12-6-11-8)15-4-2-3-10/h5-6H,2-4,10H2,1H3
InChIKeyNSFZKQXMYXGDLF-UHFFFAOYSA-N
XLogP0.09
TPSA78.85 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 ≤ 50.09
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 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine?
The IUPAC name of 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine (CID 62347572) is 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine?
The canonical SMILES for 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine is Cn1ncc2c(OCCCN)ncnc21.
What is the InChIKey of 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine?
The InChIKey is NSFZKQXMYXGDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-14-8-7(5-13-14)9(12-6-11-8)15-4-2-3-10/h5-6H,2-4,10H2,1H3.
What are the key properties of 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine?
3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine has a molecular weight of 207.24 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-1-amine is sourced from PubChem (CID 62347572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).