4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine

C14H14F2N4O — CID 24716048

IUPAC4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine
SMILESFc1ccc(Oc2cc(N3CCNCC3)ncn2)cc1F
InChIInChI=1S/C14H14F2N4O/c15-11-2-1-10(7-12(11)16)21-14-8-13(18-9-19-14)20-5-3-17-4-6-20/h1-2,7-9,17H,3-6H2
InChIKeyYOFGGJVYGWGAJA-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.96
Rot. Bonds3

About 4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine

4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine (PubChem CID 24716048) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine
PubChem CID24716048
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine
SMILESFc1ccc(Oc2cc(N3CCNCC3)ncn2)cc1F
InChIInChI=1S/C14H14F2N4O/c15-11-2-1-10(7-12(11)16)21-14-8-13(18-9-19-14)20-5-3-17-4-6-20/h1-2,7-9,17H,3-6H2
InChIKeyYOFGGJVYGWGAJA-UHFFFAOYSA-N
XLogP1.96
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine (CID 24716048) is 4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine is Fc1ccc(Oc2cc(N3CCNCC3)ncn2)cc1F.
What is the InChIKey of 4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine?
The InChIKey is YOFGGJVYGWGAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c15-11-2-1-10(7-12(11)16)21-14-8-13(18-9-19-14)20-5-3-17-4-6-20/h1-2,7-9,17H,3-6H2.
What are the key properties of 4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine?
4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine has a molecular weight of 292.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine is sourced from PubChem (CID 24716048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).