2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride

C7H5Cl3N4 — CID 89091766

IUPAC2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride
SMILES[H]/N=C(\Cl)c1nc(Cl)nc(Cl)c1NC=C
InChIInChI=1S/C7H5Cl3N4/c1-2-12-4-3(5(8)11)13-7(10)14-6(4)9/h2,11-12H,1H2/b11-5-
InChIKeyNSBCCVMUTHWYEU-WZUFQYTHSA-N
MW251.50 g/mol
LogP2.90
Rot. Bonds3

About 2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride

2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride (PubChem CID 89091766) has the molecular formula C7H5Cl3N4 and a molecular weight of 251.50 g/mol. Its IUPAC name is 2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride.

Molecular Properties

Compound Name2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride
PubChem CID89091766
Molecular FormulaC7H5Cl3N4
Molecular Weight251.50 g/mol
Exact Mass249.96
IUPAC Name2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride
SMILES[H]/N=C(\Cl)c1nc(Cl)nc(Cl)c1NC=C
InChIInChI=1S/C7H5Cl3N4/c1-2-12-4-3(5(8)11)13-7(10)14-6(4)9/h2,11-12H,1H2/b11-5-
InChIKeyNSBCCVMUTHWYEU-WZUFQYTHSA-N
XLogP2.90
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride?
The IUPAC name of 2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride (CID 89091766) is 2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride.
What is the SMILES notation for 2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride?
The canonical SMILES for 2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride is [H]/N=C(\Cl)c1nc(Cl)nc(Cl)c1NC=C.
What is the InChIKey of 2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride?
The InChIKey is NSBCCVMUTHWYEU-WZUFQYTHSA-N. The full InChI is InChI=1S/C7H5Cl3N4/c1-2-12-4-3(5(8)11)13-7(10)14-6(4)9/h2,11-12H,1H2/b11-5-.
What are the key properties of 2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride?
2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride has a molecular weight of 251.50 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-(ethenylamino)pyrimidine-4-carboximidoyl chloride is sourced from PubChem (CID 89091766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).