2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile

C14H11N5O — CID 67627759

IUPAC2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(C2CN(c3ccccc3)C(=O)N2)nc1
InChIInChI=1S/C14H11N5O/c15-6-10-7-16-13(17-8-10)12-9-19(14(20)18-12)11-4-2-1-3-5-11/h1-5,7-8,12H,9H2,(H,18,20)
InChIKeyABMZFAFPFZMXJG-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.62
Rot. Bonds2

About 2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile

2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile (PubChem CID 67627759) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile
PubChem CID67627759
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(C2CN(c3ccccc3)C(=O)N2)nc1
InChIInChI=1S/C14H11N5O/c15-6-10-7-16-13(17-8-10)12-9-19(14(20)18-12)11-4-2-1-3-5-11/h1-5,7-8,12H,9H2,(H,18,20)
InChIKeyABMZFAFPFZMXJG-UHFFFAOYSA-N
XLogP1.62
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile (CID 67627759) is 2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile is N#Cc1cnc(C2CN(c3ccccc3)C(=O)N2)nc1.
What is the InChIKey of 2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile?
The InChIKey is ABMZFAFPFZMXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c15-6-10-7-16-13(17-8-10)12-9-19(14(20)18-12)11-4-2-1-3-5-11/h1-5,7-8,12H,9H2,(H,18,20).
What are the key properties of 2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile?
2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile has a molecular weight of 265.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-phenylimidazolidin-4-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 67627759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).