4-phenoxy-6-pyrazol-1-ylpyrimidine

C13H10N4O — CID 661390

IUPAC4-phenoxy-6-pyrazol-1-ylpyrimidine
SMILESc1ccc(Oc2cc(-n3cccn3)ncn2)cc1
InChIInChI=1S/C13H10N4O/c1-2-5-11(6-3-1)18-13-9-12(14-10-15-13)17-8-4-7-16-17/h1-10H
InChIKeyOYMRGNAOABAKMM-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.45
Rot. Bonds3

About 4-phenoxy-6-pyrazol-1-ylpyrimidine

4-phenoxy-6-pyrazol-1-ylpyrimidine (PubChem CID 661390) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-phenoxy-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-phenoxy-6-pyrazol-1-ylpyrimidine
PubChem CID661390
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name4-phenoxy-6-pyrazol-1-ylpyrimidine
SMILESc1ccc(Oc2cc(-n3cccn3)ncn2)cc1
InChIInChI=1S/C13H10N4O/c1-2-5-11(6-3-1)18-13-9-12(14-10-15-13)17-8-4-7-16-17/h1-10H
InChIKeyOYMRGNAOABAKMM-UHFFFAOYSA-N
XLogP2.45
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-phenoxy-6-pyrazol-1-ylpyrimidine (CID 661390) is 4-phenoxy-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-phenoxy-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-phenoxy-6-pyrazol-1-ylpyrimidine is c1ccc(Oc2cc(-n3cccn3)ncn2)cc1.
What is the InChIKey of 4-phenoxy-6-pyrazol-1-ylpyrimidine?
The InChIKey is OYMRGNAOABAKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-2-5-11(6-3-1)18-13-9-12(14-10-15-13)17-8-4-7-16-17/h1-10H.
What are the key properties of 4-phenoxy-6-pyrazol-1-ylpyrimidine?
4-phenoxy-6-pyrazol-1-ylpyrimidine has a molecular weight of 238.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 661390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).