6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C11H18FN5 — CID 114045643

IUPAC6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCc1ncnc(NN2CCN(C)CC2)c1F
InChIInChI=1S/C11H18FN5/c1-3-9-10(12)11(14-8-13-9)15-17-6-4-16(2)5-7-17/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyZJTUDABXDIFHGO-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.75
Rot. Bonds3

About 6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 114045643) has the molecular formula C11H18FN5 and a molecular weight of 239.30 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID114045643
Molecular FormulaC11H18FN5
Molecular Weight239.30 g/mol
Exact Mass239.15
IUPAC Name6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCc1ncnc(NN2CCN(C)CC2)c1F
InChIInChI=1S/C11H18FN5/c1-3-9-10(12)11(14-8-13-9)15-17-6-4-16(2)5-7-17/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyZJTUDABXDIFHGO-UHFFFAOYSA-N
XLogP0.75
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-hydrazinyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 83027407
6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 83025758
6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 83022753
N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 103879872
N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine
CID 105387168
6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 103879827
4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 133418605
6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 103883732
6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 113344408
6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 103867495
[1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol
CID 103880437
N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045628

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 114045643) is 6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CCc1ncnc(NN2CCN(C)CC2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is ZJTUDABXDIFHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5/c1-3-9-10(12)11(14-8-13-9)15-17-6-4-16(2)5-7-17/h8H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 239.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 114045643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).