1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile

C9H5N7 — CID 112594849

IUPAC1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ncncc2N)c1C#N
InChIInChI=1S/C9H5N7/c10-1-7-8(2-11)16(5-15-7)9-6(12)3-13-4-14-9/h3-5H,12H2
InChIKeyDLVZOQVQDXDWGF-UHFFFAOYSA-N
MW211.19 g/mol
LogP-0.01
Rot. Bonds1

About 1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile

1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile (PubChem CID 112594849) has the molecular formula C9H5N7 and a molecular weight of 211.19 g/mol. Its IUPAC name is 1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile
PubChem CID112594849
Molecular FormulaC9H5N7
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ncncc2N)c1C#N
InChIInChI=1S/C9H5N7/c10-1-7-8(2-11)16(5-15-7)9-6(12)3-13-4-14-9/h3-5H,12H2
InChIKeyDLVZOQVQDXDWGF-UHFFFAOYSA-N
XLogP-0.01
TPSA117.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile 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

1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 112594850
1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112594841
1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile
CID 112595760
1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile
CID 112595850
1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595882
1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 103583527
1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile
CID 104606645
1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
CID 114202972
1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile
CID 106948556
1-(2-amino-5-chloro-4-fluorophenyl)imidazole-4,5-dicarbonitrile
CID 114089127
1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595880
2-amino-5-(4,5-dicyanoimidazol-1-yl)benzoic acid
CID 112595309

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile (CID 112594849) is 1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(-c2ncncc2N)c1C#N.
What is the InChIKey of 1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile?
The InChIKey is DLVZOQVQDXDWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N7/c10-1-7-8(2-11)16(5-15-7)9-6(12)3-13-4-14-9/h3-5H,12H2.
What are the key properties of 1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile?
1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile has a molecular weight of 211.19 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112594849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).