2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile

C16H10N6 — CID 168545526

IUPAC2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile
SMILESN#CC(C#N)=CNc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C16H10N6/c17-8-12(9-18)10-20-14-4-2-13(3-5-14)15-11-22-7-1-6-19-16(22)21-15/h1-7,10-11,20H
InChIKeyAQNIDDJQVGGNCJ-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.74
Rot. Bonds3

About 2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile

2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile (PubChem CID 168545526) has the molecular formula C16H10N6 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile
PubChem CID168545526
Molecular FormulaC16H10N6
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile
SMILESN#CC(C#N)=CNc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C16H10N6/c17-8-12(9-18)10-20-14-4-2-13(3-5-14)15-11-22-7-1-6-19-16(22)21-15/h1-7,10-11,20H
InChIKeyAQNIDDJQVGGNCJ-UHFFFAOYSA-N
XLogP2.74
TPSA89.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168610794
2-[(4-pyridin-2-ylanilino)methylidene]propanedinitrile
CID 168541859
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide
CID 75417013
[3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol
CID 121335722
3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 55825812
(E)-3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 98846407
3-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylbenzenesulfonamide
CID 122285699
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-propylpentanamide
CID 20868684
2-hydroxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)cyclopentane-1-carboxamide
CID 110015358
4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline
CID 121335716
3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169346802

Frequently Asked Questions

What is the IUPAC name of 2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile?
The IUPAC name of 2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile (CID 168545526) is 2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile?
The canonical SMILES for 2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile is N#CC(C#N)=CNc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of 2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile?
The InChIKey is AQNIDDJQVGGNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6/c17-8-12(9-18)10-20-14-4-2-13(3-5-14)15-11-22-7-1-6-19-16(22)21-15/h1-7,10-11,20H.
What are the key properties of 2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile?
2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile has a molecular weight of 286.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-imidazo[1,2-a]pyrimidin-2-ylanilino)methylidene]propanedinitrile is sourced from PubChem (CID 168545526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).