2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile

C14H8FN5 — CID 167676932

IUPAC2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile
SMILESN#CC(C#N)=NCc1ccc(-c2ncc(F)cn2)cc1
InChIInChI=1S/C14H8FN5/c15-12-8-19-14(20-9-12)11-3-1-10(2-4-11)7-18-13(5-16)6-17/h1-4,8-9H,7H2
InChIKeyUYLITWWDODDFOE-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.27
Rot. Bonds3

About 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile

2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile (PubChem CID 167676932) has the molecular formula C14H8FN5 and a molecular weight of 265.25 g/mol. Its IUPAC name is 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile
PubChem CID167676932
Molecular FormulaC14H8FN5
Molecular Weight265.25 g/mol
Exact Mass265.08
IUPAC Name2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile
SMILESN#CC(C#N)=NCc1ccc(-c2ncc(F)cn2)cc1
InChIInChI=1S/C14H8FN5/c15-12-8-19-14(20-9-12)11-3-1-10(2-4-11)7-18-13(5-16)6-17/h1-4,8-9H,7H2
InChIKeyUYLITWWDODDFOE-UHFFFAOYSA-N
XLogP2.27
TPSA85.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 167211476
2-(4-fluorophenyl)pyrimidin-5-ol
CID 15095345
[4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine
CID 154945638
5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine
CID 90769259
4-(5-fluoropyrimidin-2-yl)-N-methylaniline
CID 156821684
4-[5-(4,4-difluorobut-3-enyl)pyrimidin-2-yl]-2-fluorobenzonitrile
CID 162548324
5-but-3-enyl-2-(4-fluorophenyl)pyrimidine
CID 19899870
2-[(2-oxo-3H-1,3-benzothiazol-6-yl)methylimino]propanedinitrile
CID 167690608
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile
CID 70492924
2-[4-[1-(disulfanyl)ethyl]phenyl]-5-fluoropyrimidine
CID 123572443
2-[4-chloro-3-(chloromethyl)phenyl]-5-fluoropyrimidine
CID 167496080

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile?
The IUPAC name of 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile (CID 167676932) is 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile.
What is the SMILES notation for 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile?
The canonical SMILES for 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile is N#CC(C#N)=NCc1ccc(-c2ncc(F)cn2)cc1.
What is the InChIKey of 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile?
The InChIKey is UYLITWWDODDFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN5/c15-12-8-19-14(20-9-12)11-3-1-10(2-4-11)7-18-13(5-16)6-17/h1-4,8-9H,7H2.
What are the key properties of 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile?
2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile has a molecular weight of 265.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]methylimino]propanedinitrile is sourced from PubChem (CID 167676932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).