4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine

C13H18N4O2 — CID 172769136

IUPAC4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine
SMILESc1cc2nc(OCCCN3CCOCC3)ccn2n1
InChIInChI=1S/C13H18N4O2/c1(5-16-7-10-18-11-8-16)9-19-13-3-6-17-12(15-13)2-4-14-17/h2-4,6H,1,5,7-11H2
InChIKeyMSFSLMDSLNJORG-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.83
Rot. Bonds5

About 4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine

4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine (PubChem CID 172769136) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine.

Molecular Properties

Compound Name4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine
PubChem CID172769136
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine
SMILESc1cc2nc(OCCCN3CCOCC3)ccn2n1
InChIInChI=1S/C13H18N4O2/c1(5-16-7-10-18-11-8-16)9-19-13-3-6-17-12(15-13)2-4-14-17/h2-4,6H,1,5,7-11H2
InChIKeyMSFSLMDSLNJORG-UHFFFAOYSA-N
XLogP0.83
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Ethoxy-6-pyrazol-1-ylpyrimidine
CID 10702836
4-(1-Methyl-4-propan-2-yloxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine
CID 70702027
4-ethoxy-N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 50959180
3-[7-(2,2,2-Trifluoroethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 170053755
5-Fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine
CID 170053762
(1S,4S)-5-[7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 170053796
(1R,4R)-5-[7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 170053797
8-[7-(2,2,2-Trifluoroethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170053798
2-(2,2-Difluoroethoxy)pyrazolo[1,5-a]pyrimidine
CID 176019768
5-(Cyclopropylmethoxy)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 177910229
4-{Pyrazolo[1,5-a]pyrimidin-5-yl}morpholine
CID 132468338
5-Fluoro-2-(4-{pyrazolo[1,5-a]pyrimidin-5-yloxy}piperidin-1-yl)pyrimidine
CID 163354806

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine?
The IUPAC name of 4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine (CID 172769136) is 4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine.
What is the SMILES notation for 4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine?
The canonical SMILES for 4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine is c1cc2nc(OCCCN3CCOCC3)ccn2n1.
What is the InChIKey of 4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine?
The InChIKey is MSFSLMDSLNJORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1(5-16-7-10-18-11-8-16)9-19-13-3-6-17-12(15-13)2-4-14-17/h2-4,6H,1,5,7-11H2.
What are the key properties of 4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine?
4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine has a molecular weight of 262.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine is sourced from PubChem (CID 172769136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).