N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

C13H20N4O — CID 113296697

IUPACN-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(C)CCOCCNc1ccn2nccc2n1
InChIInChI=1S/C13H20N4O/c1-11(2)5-9-18-10-7-14-12-4-8-17-13(16-12)3-6-15-17/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,14,16)
InChIKeyYETWYWRUAHARTM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.20
Rot. Bonds7

About N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 113296697) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID113296697
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(C)CCOCCNc1ccn2nccc2n1
InChIInChI=1S/C13H20N4O/c1-11(2)5-9-18-10-7-14-12-4-8-17-13(16-12)3-6-15-17/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,14,16)
InChIKeyYETWYWRUAHARTM-UHFFFAOYSA-N
XLogP2.20
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 113296697) is N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is CC(C)CCOCCNc1ccn2nccc2n1.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is YETWYWRUAHARTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-11(2)5-9-18-10-7-14-12-4-8-17-13(16-12)3-6-15-17/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 248.33 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 113296697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).