5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine

C15H17FN4O — CID 157163231

IUPAC5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine
SMILESFc1ccc(COc2cnc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C15H17FN4O/c16-13-3-1-12(2-4-13)11-21-14-9-18-15(19-10-14)20-7-5-17-6-8-20/h1-4,9-10,17H,5-8,11H2
InChIKeyAMPNBDDTZFYJJP-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.60
Rot. Bonds4

About 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine

5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine (PubChem CID 157163231) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine
PubChem CID157163231
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine
SMILESFc1ccc(COc2cnc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C15H17FN4O/c16-13-3-1-12(2-4-13)11-21-14-9-18-15(19-10-14)20-7-5-17-6-8-20/h1-4,9-10,17H,5-8,11H2
InChIKeyAMPNBDDTZFYJJP-UHFFFAOYSA-N
XLogP1.60
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-((R)-1-(3-fluorophenyl)propan-2-yloxy)-2-((R)-2-methylpiperazin-1-yl)pyrimidine
CID 44573547
5-[(4-Tert-butylphenyl)methoxy]pyrimidine-2,4-diamine
CID 516678
4-N-butyl-5-phenylmethoxypyrimidine-2,4-diamine
CID 70856091
4-N-butyl-5-(3-phenylpropoxy)pyrimidine-2,4-diamine
CID 70856103
5-Benzyloxypyrimidine-2,4-diamine
CID 516670
2-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]pyrimidine
CID 137656684
N-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-pyrimidin-2-ylethane-1,2-diamine
CID 21460878
5-ethoxy-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 68325390
N-[4-[(2R)-morpholin-2-yl]phenyl]-5-propan-2-yloxypyrimidin-2-amine
CID 68325412
(RS)-(5-ethoxy-pyrimidin-2-yl)-(2-fluoro-4-morpholin-2-yl-phenyl)-amine
CID 68325413
5-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 68325422
5-ethoxy-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 68325435

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine (CID 157163231) is 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine is Fc1ccc(COc2cnc(N3CCNCC3)nc2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine?
The InChIKey is AMPNBDDTZFYJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-13-3-1-12(2-4-13)11-21-14-9-18-15(19-10-14)20-7-5-17-6-8-20/h1-4,9-10,17H,5-8,11H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine?
5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine has a molecular weight of 288.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 157163231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).