4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine

C10H12Cl2N6 — CID 55124703

IUPAC4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NCCCCn2ccnc2)n1
InChIInChI=1S/C10H12Cl2N6/c11-8-15-9(12)17-10(16-8)14-3-1-2-5-18-6-4-13-7-18/h4,6-7H,1-3,5H2,(H,14,15,16,17)
InChIKeyIPCDIZQAETUXEN-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.27
Rot. Bonds6

About 4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine (PubChem CID 55124703) has the molecular formula C10H12Cl2N6 and a molecular weight of 287.15 g/mol. Its IUPAC name is 4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
PubChem CID55124703
Molecular FormulaC10H12Cl2N6
Molecular Weight287.15 g/mol
Exact Mass286.05
IUPAC Name4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NCCCCn2ccnc2)n1
InChIInChI=1S/C10H12Cl2N6/c11-8-15-9(12)17-10(16-8)14-3-1-2-5-18-6-4-13-7-18/h4,6-7H,1-3,5H2,(H,14,15,16,17)
InChIKeyIPCDIZQAETUXEN-UHFFFAOYSA-N
XLogP2.27
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine 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

4-chloro-N-(3-imidazol-1-ylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869150
2-chloro-N-(3-imidazol-1-ylpropyl)pteridin-4-amine
CID 82459615
4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 82461164
2-(4-imidazol-1-ylbutylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544221
N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine
CID 112551949
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine
CID 80946117
4-imidazol-1-ylbutylhydrazine
CID 86114724
6-chloro-N-(4-imidazol-1-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547015
6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460088
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carboxylic acid
CID 107553286

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine (CID 55124703) is 4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(NCCCCn2ccnc2)n1.
What is the InChIKey of 4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine?
The InChIKey is IPCDIZQAETUXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N6/c11-8-15-9(12)17-10(16-8)14-3-1-2-5-18-6-4-13-7-18/h4,6-7H,1-3,5H2,(H,14,15,16,17).
What are the key properties of 4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine has a molecular weight of 287.15 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).