6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine

C16H20FN5 — CID 112858117

IUPAC6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine
SMILESCCN1CCN(c2cc(Nc3ccccc3F)ncn2)CC1
InChIInChI=1S/C16H20FN5/c1-2-21-7-9-22(10-8-21)16-11-15(18-12-19-16)20-14-6-4-3-5-13(14)17/h3-6,11-12H,2,7-10H2,1H3,(H,18,19,20)
InChIKeyHLLWUIOERDBZIY-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.50
Rot. Bonds4

About 6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine

6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine (PubChem CID 112858117) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine
PubChem CID112858117
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine
SMILESCCN1CCN(c2cc(Nc3ccccc3F)ncn2)CC1
InChIInChI=1S/C16H20FN5/c1-2-21-7-9-22(10-8-21)16-11-15(18-12-19-16)20-14-6-4-3-5-13(14)17/h3-6,11-12H,2,7-10H2,1H3,(H,18,19,20)
InChIKeyHLLWUIOERDBZIY-UHFFFAOYSA-N
XLogP2.50
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylpiperazin-1-yl)-[6-(2-fluoroanilino)pyrimidin-4-yl]methanone
CID 109345485
N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858113
N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858173
6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine
CID 99968435
6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112858031
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 112862333
4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
methyl 4-chloro-3-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112858153
(3S)-1-[6-(2-fluoroanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975918
4-[6-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858270
6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109345270
N-(5-fluoro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282467

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine (CID 112858117) is 6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine is CCN1CCN(c2cc(Nc3ccccc3F)ncn2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine?
The InChIKey is HLLWUIOERDBZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c1-2-21-7-9-22(10-8-21)16-11-15(18-12-19-16)20-14-6-4-3-5-13(14)17/h3-6,11-12H,2,7-10H2,1H3,(H,18,19,20).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine?
6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine has a molecular weight of 301.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 112858117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).