4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine

C16H19FN4 — CID 117212241

IUPAC4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine
SMILESCCc1nc(-c2ccc(F)cc2)ncc1N1CCNCC1
InChIInChI=1S/C16H19FN4/c1-2-14-15(21-9-7-18-8-10-21)11-19-16(20-14)12-3-5-13(17)6-4-12/h3-6,11,18H,2,7-10H2,1H3
InChIKeyVXAIHSJFHRXPEB-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.25
Rot. Bonds3

About 4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine

4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine (PubChem CID 117212241) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine
PubChem CID117212241
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine
SMILESCCc1nc(-c2ccc(F)cc2)ncc1N1CCNCC1
InChIInChI=1S/C16H19FN4/c1-2-14-15(21-9-7-18-8-10-21)11-19-16(20-14)12-3-5-13(17)6-4-12/h3-6,11,18H,2,7-10H2,1H3
InChIKeyVXAIHSJFHRXPEB-UHFFFAOYSA-N
XLogP2.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine
CID 117212039
5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine
CID 114205677
2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine
CID 117212249
1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine
CID 117212294
1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine
CID 117210563
5-cyclopropyl-2-(4-fluorophenyl)-4-(iodomethyl)pyrimidine
CID 168968727
5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride
CID 135146269
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine
CID 66298635
1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one
CID 95916514
N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 146525524
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601337

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine?
The IUPAC name of 4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine (CID 117212241) is 4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine is CCc1nc(-c2ccc(F)cc2)ncc1N1CCNCC1.
What is the InChIKey of 4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine?
The InChIKey is VXAIHSJFHRXPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-2-14-15(21-9-7-18-8-10-21)11-19-16(20-14)12-3-5-13(17)6-4-12/h3-6,11,18H,2,7-10H2,1H3.
What are the key properties of 4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine?
4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine has a molecular weight of 286.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine is sourced from PubChem (CID 117212241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).