7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile

C14H11N5O — CID 176509034

IUPAC7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile
SMILESN#Cc1ccc(C2NC3=NCCN3C(=O)C2C#N)cc1
InChIInChI=1S/C14H11N5O/c15-7-9-1-3-10(4-2-9)12-11(8-16)13(20)19-6-5-17-14(19)18-12/h1-4,11-12H,5-6H2,(H,17,18)
InChIKeyKBUUQXTVXLUUEV-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.54
Rot. Bonds1

About 7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile

7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile (PubChem CID 176509034) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile
PubChem CID176509034
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile
SMILESN#Cc1ccc(C2NC3=NCCN3C(=O)C2C#N)cc1
InChIInChI=1S/C14H11N5O/c15-7-9-1-3-10(4-2-9)12-11(8-16)13(20)19-6-5-17-14(19)18-12/h1-4,11-12H,5-6H2,(H,17,18)
InChIKeyKBUUQXTVXLUUEV-UHFFFAOYSA-N
XLogP0.54
TPSA92.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile (CID 176509034) is 7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile is N#Cc1ccc(C2NC3=NCCN3C(=O)C2C#N)cc1.
What is the InChIKey of 7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile?
The InChIKey is KBUUQXTVXLUUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c15-7-9-1-3-10(4-2-9)12-11(8-16)13(20)19-6-5-17-14(19)18-12/h1-4,11-12H,5-6H2,(H,17,18).
What are the key properties of 7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile?
7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile has a molecular weight of 265.28 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyanophenyl)-5-oxo-3,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 176509034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).