4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine

C14H15FN4O — CID 24715764

IUPAC4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine
SMILESFc1cccc(Oc2cc(N3CCNCC3)ncn2)c1
InChIInChI=1S/C14H15FN4O/c15-11-2-1-3-12(8-11)20-14-9-13(17-10-18-14)19-6-4-16-5-7-19/h1-3,8-10,16H,4-7H2
InChIKeyOTPUQQAEQKMQIB-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.82
Rot. Bonds3

About 4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine

4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine (PubChem CID 24715764) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine
PubChem CID24715764
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine
SMILESFc1cccc(Oc2cc(N3CCNCC3)ncn2)c1
InChIInChI=1S/C14H15FN4O/c15-11-2-1-3-12(8-11)20-14-9-13(17-10-18-14)19-6-4-16-5-7-19/h1-3,8-10,16H,4-7H2
InChIKeyOTPUQQAEQKMQIB-UHFFFAOYSA-N
XLogP1.82
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine
CID 24716048
4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 83284609
4-(3-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
CID 91633843
4-fluoro-6-(3-fluorophenoxy)pyrimidine
CID 115416111
4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine
CID 24716244
N-ethyl-4-[6-(3-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide
CID 83282349
1-[(2R)-4-[6-(3-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]butan-1-one
CID 93296671
1-(6-phenoxy-2-pyridinyl)piperazine
CID 18186800
4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
CID 83287949
1-[(2S)-4-[6-(3-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 93296494
4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine
CID 83289215
2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine
CID 84610306

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine (CID 24715764) is 4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine is Fc1cccc(Oc2cc(N3CCNCC3)ncn2)c1.
What is the InChIKey of 4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine?
The InChIKey is OTPUQQAEQKMQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-11-2-1-3-12(8-11)20-14-9-13(17-10-18-14)19-6-4-16-5-7-19/h1-3,8-10,16H,4-7H2.
What are the key properties of 4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine?
4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine has a molecular weight of 274.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine is sourced from PubChem (CID 24715764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).