N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine

C13H19N5O — CID 115372343

IUPACN-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1cc2nc(NCCCN3CCOCC3)ccn2n1
InChIInChI=1S/C13H19N5O/c1(6-17-8-10-19-11-9-17)4-14-12-3-7-18-13(16-12)2-5-15-18/h2-3,5,7H,1,4,6,8-11H2,(H,14,16)
InChIKeyFVNSHHUAKMDXTR-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.86
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine

N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115372343) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115372343
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1cc2nc(NCCCN3CCOCC3)ccn2n1
InChIInChI=1S/C13H19N5O/c1(6-17-8-10-19-11-9-17)4-14-12-3-7-18-13(16-12)2-5-15-18/h2-3,5,7H,1,4,6,8-11H2,(H,14,16)
InChIKeyFVNSHHUAKMDXTR-UHFFFAOYSA-N
XLogP0.86
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.86
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-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 115372343) is N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine is c1cc2nc(NCCCN3CCOCC3)ccn2n1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is FVNSHHUAKMDXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1(6-17-8-10-19-11-9-17)4-14-12-3-7-18-13(16-12)2-5-15-18/h2-3,5,7H,1,4,6,8-11H2,(H,14,16).
What are the key properties of N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 261.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115372343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).