4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile

C11H8FN5 — CID 2816557

IUPAC4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(F)cc2)nc1N
InChIInChI=1S/C11H8FN5/c12-8-1-3-9(4-2-8)16-11-15-6-7(5-13)10(14)17-11/h1-4,6H,(H3,14,15,16,17)
InChIKeyZPXPWUGKFXUHQJ-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.81
Rot. Bonds2

About 4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile

4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile (PubChem CID 2816557) has the molecular formula C11H8FN5 and a molecular weight of 229.22 g/mol. Its IUPAC name is 4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile
PubChem CID2816557
Molecular FormulaC11H8FN5
Molecular Weight229.22 g/mol
Exact Mass229.08
IUPAC Name4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(F)cc2)nc1N
InChIInChI=1S/C11H8FN5/c12-8-1-3-9(4-2-8)16-11-15-6-7(5-13)10(14)17-11/h1-4,6H,(H3,14,15,16,17)
InChIKeyZPXPWUGKFXUHQJ-UHFFFAOYSA-N
XLogP1.81
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile (CID 2816557) is 4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile is N#Cc1cnc(Nc2ccc(F)cc2)nc1N.
What is the InChIKey of 4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile?
The InChIKey is ZPXPWUGKFXUHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5/c12-8-1-3-9(4-2-8)16-11-15-6-7(5-13)10(14)17-11/h1-4,6H,(H3,14,15,16,17).
What are the key properties of 4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile?
4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile has a molecular weight of 229.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-fluoroanilino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 2816557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).