4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine

C17H21FN4O — CID 24715565

IUPAC4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine
SMILESCCN1CCN(c2cc(Oc3ccc(F)cc3C)ncn2)CC1
InChIInChI=1S/C17H21FN4O/c1-3-21-6-8-22(9-7-21)16-11-17(20-12-19-16)23-15-5-4-14(18)10-13(15)2/h4-5,10-12H,3,6-9H2,1-2H3
InChIKeyDGERZQAJNUZMGY-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.86
Rot. Bonds4

About 4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine

4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine (PubChem CID 24715565) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine
PubChem CID24715565
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine
SMILESCCN1CCN(c2cc(Oc3ccc(F)cc3C)ncn2)CC1
InChIInChI=1S/C17H21FN4O/c1-3-21-6-8-22(9-7-21)16-11-17(20-12-19-16)23-15-5-4-14(18)10-13(15)2/h4-5,10-12H,3,6-9H2,1-2H3
InChIKeyDGERZQAJNUZMGY-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-(4-(4-Aminopyrimidin-2-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)benzonitrile
CID 46879893
2-(6-(4-(4-Amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)pyrimidin-4-yloxy)benzonitrile
CID 46879753
N,N-diethyl-6-phenoxypyrimidin-4-amine
CID 2055860
2-(1-(6-(2-Ethylphenoxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
CID 25026090
4-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(2''-pyrimidyl)piperazine
CID 25156413
5-Fluoro-2-(1-(6-(p-tolyloxy)pyrimidin-4-yl)piperidin-4-yloxy)pyrimidin-4-amine
CID 46879672
5-Fluoro-2-(1-(6-(o-tolyloxy)pyrimidin-4-yl)piperidin-4-yloxy)pyrimidin-4-amine
CID 46879673
2-(1-(6-(Biphenyl-2-yloxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
CID 46879717
2-(6-(4-(4-Amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)-5-methylpyrimidin-4-yloxy)benzonitrile
CID 46879798
2-(6-(4-(4-Amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)-2-methylpyrimidin-4-yloxy)benzonitrile
CID 46879799
2-(6-(4-(4-amino-2-oxopyrimidin-1(2H)-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)benzonitrile
CID 46879995
2-[4-[3-(4-Fluorophenoxy)propyl]piperazin-1-yl]pyrimidine
CID 57396484

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine (CID 24715565) is 4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine is CCN1CCN(c2cc(Oc3ccc(F)cc3C)ncn2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine?
The InChIKey is DGERZQAJNUZMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-3-21-6-8-22(9-7-21)16-11-17(20-12-19-16)23-15-5-4-14(18)10-13(15)2/h4-5,10-12H,3,6-9H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine?
4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine has a molecular weight of 316.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine is sourced from PubChem (CID 24715565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).