4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile

C15H9N3O — CID 24901796

IUPAC4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2)nc1-c1ccco1
InChIInChI=1S/C15H9N3O/c16-9-12-10-17-15(11-5-2-1-3-6-11)18-14(12)13-7-4-8-19-13/h1-8,10H
InChIKeyCALQXPJNKUQUAL-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.28
Rot. Bonds2

About 4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile

4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile (PubChem CID 24901796) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile
PubChem CID24901796
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2)nc1-c1ccco1
InChIInChI=1S/C15H9N3O/c16-9-12-10-17-15(11-5-2-1-3-6-11)18-14(12)13-7-4-8-19-13/h1-8,10H
InChIKeyCALQXPJNKUQUAL-UHFFFAOYSA-N
XLogP3.28
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile
CID 122575562
6-amino-2-(furan-2-yl)pyridine-3-carbonitrile
CID 91097691
4-anilino-2-phenylpyrimidine-5-carbonitrile
CID 12598855
2-phenylquinazoline-8-carbonitrile
CID 174872063
4-(furan-2-yl)-5-phenylpyrimidin-2-amine
CID 134140522
4-(2-methylpropyl)-2-phenylpyrimidine-5-carbonitrile
CID 46845791
2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82281081
2-(furan-2-yl)-5-(5-phenyl-1H-imidazol-4-yl)pyrimidine
CID 50963722
4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile
CID 122366103
4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile
CID 70079353
2-(2-phenylpyrimidin-4-yl)benzonitrile
CID 21476415
2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile
CID 70096176

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile (CID 24901796) is 4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile is N#Cc1cnc(-c2ccccc2)nc1-c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile?
The InChIKey is CALQXPJNKUQUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c16-9-12-10-17-15(11-5-2-1-3-6-11)18-14(12)13-7-4-8-19-13/h1-8,10H.
What are the key properties of 4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile?
4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile has a molecular weight of 247.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 24901796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).