2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile

C15H14FN3 — CID 70492924

IUPAC2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile
SMILESCCCCc1ccc(-c2ncc(C#N)c(F)n2)cc1
InChIInChI=1S/C15H14FN3/c1-2-3-4-11-5-7-12(8-6-11)15-18-10-13(9-17)14(16)19-15/h5-8,10H,2-4H2,1H3
InChIKeyMOPDZJBIFOKXRP-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.50
Rot. Bonds4

About 2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile

2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile (PubChem CID 70492924) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile
PubChem CID70492924
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile
SMILESCCCCc1ccc(-c2ncc(C#N)c(F)n2)cc1
InChIInChI=1S/C15H14FN3/c1-2-3-4-11-5-7-12(8-6-11)15-18-10-13(9-17)14(16)19-15/h5-8,10H,2-4H2,1H3
InChIKeyMOPDZJBIFOKXRP-UHFFFAOYSA-N
XLogP3.50
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-5-(4-nonylphenyl)-2-(4-pentylphenyl)pyrimidine
CID 70492698
4-fluoro-2-[4-(4-pentylcyclohexyl)phenyl]pyrimidine-5-carbonitrile
CID 70492919
4-fluoro-2-[4-(4-hexylcyclohexyl)phenyl]pyrimidine-5-carbonitrile
CID 70492850
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
2-(4-octylphenyl)pyrimidine-5-carbonitrile
CID 21388861
2-(4-butylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 21388807
6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile
CID 21388867
2-(4-butylphenyl)-5-propylpyrimidine
CID 611185
2-(4-butylphenyl)pyrimidin-5-amine
CID 82288047
2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
CID 20625407
4-[5-(4-decylphenyl)pyrimidin-2-yl]-2,6-difluorobenzonitrile
CID 14618825
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile?
The IUPAC name of 2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile (CID 70492924) is 2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile?
The canonical SMILES for 2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile is CCCCc1ccc(-c2ncc(C#N)c(F)n2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile?
The InChIKey is MOPDZJBIFOKXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-2-3-4-11-5-7-12(8-6-11)15-18-10-13(9-17)14(16)19-15/h5-8,10H,2-4H2,1H3.
What are the key properties of 2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile?
2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile has a molecular weight of 255.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile is sourced from PubChem (CID 70492924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).