3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile

C11H7FN4 — CID 116795274

IUPAC3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-c2nccc(N)n2)c1
InChIInChI=1S/C11H7FN4/c12-9-4-7(6-13)3-8(5-9)11-15-2-1-10(14)16-11/h1-5H,(H2,14,15,16)
InChIKeyAYMDUQDSANNKSC-UHFFFAOYSA-N
MW214.20 g/mol
LogP1.74
Rot. Bonds1

About 3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile

3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile (PubChem CID 116795274) has the molecular formula C11H7FN4 and a molecular weight of 214.20 g/mol. Its IUPAC name is 3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile
PubChem CID116795274
Molecular FormulaC11H7FN4
Molecular Weight214.20 g/mol
Exact Mass214.07
IUPAC Name3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-c2nccc(N)n2)c1
InChIInChI=1S/C11H7FN4/c12-9-4-7(6-13)3-8(5-9)11-15-2-1-10(14)16-11/h1-5H,(H2,14,15,16)
InChIKeyAYMDUQDSANNKSC-UHFFFAOYSA-N
XLogP1.74
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile?
The IUPAC name of 3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile (CID 116795274) is 3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile?
The canonical SMILES for 3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile is N#Cc1cc(F)cc(-c2nccc(N)n2)c1.
What is the InChIKey of 3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile?
The InChIKey is AYMDUQDSANNKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4/c12-9-4-7(6-13)3-8(5-9)11-15-2-1-10(14)16-11/h1-5H,(H2,14,15,16).
What are the key properties of 3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile?
3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile has a molecular weight of 214.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile is sourced from PubChem (CID 116795274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).