2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine

C14H20FN3 — CID 74248962

IUPAC2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1nc(/C=C/C2CCCCC2)ncc1F
InChIInChI=1S/C14H20FN3/c1-18(2)14-12(15)10-16-13(17-14)9-8-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3/b9-8+
InChIKeyLWCZCMNNPLAFIX-CMDGGOBGSA-N
MW249.33 g/mol
LogP3.28
Rot. Bonds3

About 2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine

2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine (PubChem CID 74248962) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
PubChem CID74248962
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1nc(/C=C/C2CCCCC2)ncc1F
InChIInChI=1S/C14H20FN3/c1-18(2)14-12(15)10-16-13(17-14)9-8-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3/b9-8+
InChIKeyLWCZCMNNPLAFIX-CMDGGOBGSA-N
XLogP3.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine (CID 74248962) is 2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine is CN(C)c1nc(/C=C/C2CCCCC2)ncc1F.
What is the InChIKey of 2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The InChIKey is LWCZCMNNPLAFIX-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H20FN3/c1-18(2)14-12(15)10-16-13(17-14)9-8-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3/b9-8+.
What are the key properties of 2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine has a molecular weight of 249.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-cyclohexylethenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 74248962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).