1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile

C9H4ClN7 — CID 112594850

IUPAC1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ncnc(Cl)c2N)c1C#N
InChIInChI=1S/C9H4ClN7/c10-8-7(13)9(15-3-14-8)17-4-16-5(1-11)6(17)2-12/h3-4H,13H2
InChIKeyZMIIPTUQIQWDLZ-UHFFFAOYSA-N
MW245.63 g/mol
LogP0.64
Rot. Bonds1

About 1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile

1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile (PubChem CID 112594850) has the molecular formula C9H4ClN7 and a molecular weight of 245.63 g/mol. Its IUPAC name is 1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile
PubChem CID112594850
Molecular FormulaC9H4ClN7
Molecular Weight245.63 g/mol
Exact Mass245.02
IUPAC Name1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ncnc(Cl)c2N)c1C#N
InChIInChI=1S/C9H4ClN7/c10-8-7(13)9(15-3-14-8)17-4-16-5(1-11)6(17)2-12/h3-4H,13H2
InChIKeyZMIIPTUQIQWDLZ-UHFFFAOYSA-N
XLogP0.64
TPSA117.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.63
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(5-amino-6-chloropyrimidin-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-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 112594849
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-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 103583527
1-(2-amino-5-chloro-4-fluorophenyl)imidazole-4,5-dicarbonitrile
CID 114089127
1-(6-methoxy-5-nitropyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 115945022
1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile
CID 112595850
1-[4-[(1R)-1-aminoethyl]phenyl]imidazole-4,5-dicarbonitrile
CID 113355659
1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595880
1-[2-(aminomethyl)-6-chlorophenyl]imidazole-4,5-dicarbonitrile
CID 114069167
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
CID 104733751
1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595882

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile (CID 112594850) is 1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(-c2ncnc(Cl)c2N)c1C#N.
What is the InChIKey of 1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile?
The InChIKey is ZMIIPTUQIQWDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClN7/c10-8-7(13)9(15-3-14-8)17-4-16-5(1-11)6(17)2-12/h3-4H,13H2.
What are the key properties of 1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile?
1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile has a molecular weight of 245.63 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112594850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).