5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine

C11H8F2N4 — CID 122518855

IUPAC5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine
SMILESC=C(c1cncc(F)c1)c1ncc(F)c(N)n1
InChIInChI=1S/C11H8F2N4/c1-6(7-2-8(12)4-15-3-7)11-16-5-9(13)10(14)17-11/h2-5H,1H2,(H2,14,16,17)
InChIKeyLRTLQALBUWRSRP-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.79
Rot. Bonds2

About 5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine

5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine (PubChem CID 122518855) has the molecular formula C11H8F2N4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine
PubChem CID122518855
Molecular FormulaC11H8F2N4
Molecular Weight234.21 g/mol
Exact Mass234.07
IUPAC Name5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine
SMILESC=C(c1cncc(F)c1)c1ncc(F)c(N)n1
InChIInChI=1S/C11H8F2N4/c1-6(7-2-8(12)4-15-3-7)11-16-5-9(13)10(14)17-11/h2-5H,1H2,(H2,14,16,17)
InChIKeyLRTLQALBUWRSRP-UHFFFAOYSA-N
XLogP1.79
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine (CID 122518855) is 5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine is C=C(c1cncc(F)c1)c1ncc(F)c(N)n1.
What is the InChIKey of 5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine?
The InChIKey is LRTLQALBUWRSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4/c1-6(7-2-8(12)4-15-3-7)11-16-5-9(13)10(14)17-11/h2-5H,1H2,(H2,14,16,17).
What are the key properties of 5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine?
5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine has a molecular weight of 234.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(5-fluoro-3-pyridinyl)ethenyl]pyrimidin-4-amine is sourced from PubChem (CID 122518855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).