4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine

C14H14ClFN4O — CID 24716244

IUPAC4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine
SMILESFc1cc(Cl)ccc1Oc1cc(N2CCNCC2)ncn1
InChIInChI=1S/C14H14ClFN4O/c15-10-1-2-12(11(16)7-10)21-14-8-13(18-9-19-14)20-5-3-17-4-6-20/h1-2,7-9,17H,3-6H2
InChIKeySRADNWYDQLQASS-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.47
Rot. Bonds3

About 4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine

4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine (PubChem CID 24716244) has the molecular formula C14H14ClFN4O and a molecular weight of 308.74 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine
PubChem CID24716244
Molecular FormulaC14H14ClFN4O
Molecular Weight308.74 g/mol
Exact Mass308.08
IUPAC Name4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine
SMILESFc1cc(Cl)ccc1Oc1cc(N2CCNCC2)ncn1
InChIInChI=1S/C14H14ClFN4O/c15-10-1-2-12(11(16)7-10)21-14-8-13(18-9-19-14)20-5-3-17-4-6-20/h1-2,7-9,17H,3-6H2
InChIKeySRADNWYDQLQASS-UHFFFAOYSA-N
XLogP2.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine (CID 24716244) is 4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine is Fc1cc(Cl)ccc1Oc1cc(N2CCNCC2)ncn1.
What is the InChIKey of 4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine?
The InChIKey is SRADNWYDQLQASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O/c15-10-1-2-12(11(16)7-10)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-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine?
4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine has a molecular weight of 308.74 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenoxy)-6-piperazin-1-ylpyrimidine is sourced from PubChem (CID 24716244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).