6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine

C12H16FN5 — CID 86789293

IUPAC6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCc2cncn2C)c1F
InChIInChI=1S/C12H16FN5/c1-3-10-11(13)12(17-7-16-10)15-5-4-9-6-14-8-18(9)2/h6-8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyJDPAGTBREXSVTA-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.57
Rot. Bonds5

About 6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 86789293) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID86789293
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC Name6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCc2cncn2C)c1F
InChIInChI=1S/C12H16FN5/c1-3-10-11(13)12(17-7-16-10)15-5-4-9-6-14-8-18(9)2/h6-8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyJDPAGTBREXSVTA-UHFFFAOYSA-N
XLogP1.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine (CID 86789293) is 6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine is CCc1ncnc(NCCc2cncn2C)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is JDPAGTBREXSVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-3-10-11(13)12(17-7-16-10)15-5-4-9-6-14-8-18(9)2/h6-8H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of 6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 249.29 g/mol, XLogP of 1.57, 5 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-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 86789293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).