4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine

C22H23FN4 — CID 69355120

IUPAC4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine
SMILESCCN1CCN(c2cc(-c3ccc(F)cc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H23FN4/c1-2-26-12-14-27(15-13-26)21-16-20(17-8-10-19(23)11-9-17)24-22(25-21)18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3
InChIKeyXLBBIPVNPPGASU-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.09
Rot. Bonds4

About 4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine

4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine (PubChem CID 69355120) has the molecular formula C22H23FN4 and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine
PubChem CID69355120
Molecular FormulaC22H23FN4
Molecular Weight362.45 g/mol
Exact Mass362.19
IUPAC Name4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine
SMILESCCN1CCN(c2cc(-c3ccc(F)cc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H23FN4/c1-2-26-12-14-27(15-13-26)21-16-20(17-8-10-19(23)11-9-17)24-22(25-21)18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3
InChIKeyXLBBIPVNPPGASU-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083
N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936484
4-(4-fluorophenyl)-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3526497
1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole
CID 112881040
4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine
CID 112936435
2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768570
4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine
CID 5091017
1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one
CID 56767288
6-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 112881049
4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine
CID 112936430
1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 7678263
4-(4-ethylpiperazin-1-yl)-2-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 139663427

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine (CID 69355120) is 4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine is CCN1CCN(c2cc(-c3ccc(F)cc3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine?
The InChIKey is XLBBIPVNPPGASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4/c1-2-26-12-14-27(15-13-26)21-16-20(17-8-10-19(23)11-9-17)24-22(25-21)18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine?
4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine has a molecular weight of 362.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine is sourced from PubChem (CID 69355120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).