4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine

C8H8Cl2N6 — CID 106196599

IUPAC4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(Cl)nc(Cl)n1)c1ncc[nH]1
InChIInChI=1S/C8H8Cl2N6/c1-4(5-11-2-3-12-5)13-8-15-6(9)14-7(10)16-8/h2-4H,1H3,(H,11,12)(H,13,14,15,16)
InChIKeyPXFJZAYLVRIHFI-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.07
Rot. Bonds3

About 4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 106196599) has the molecular formula C8H8Cl2N6 and a molecular weight of 259.10 g/mol. Its IUPAC name is 4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID106196599
Molecular FormulaC8H8Cl2N6
Molecular Weight259.10 g/mol
Exact Mass258.02
IUPAC Name4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(Cl)nc(Cl)n1)c1ncc[nH]1
InChIInChI=1S/C8H8Cl2N6/c1-4(5-11-2-3-12-5)13-8-15-6(9)14-7(10)16-8/h2-4H,1H3,(H,11,12)(H,13,14,15,16)
InChIKeyPXFJZAYLVRIHFI-UHFFFAOYSA-N
XLogP2.07
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
CID 106196590
4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106196358
5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine
CID 130934961
5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
CID 106997926
6-chloro-2-cyclopropyl-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
CID 107257730
6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 114156857
2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline
CID 106891698
6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine
CID 106196615
5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine
CID 107234131
N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine
CID 106504285
hydrazine;2-propan-2-yl-1H-imidazole
CID 158955026
1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol
CID 106539816

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine (CID 106196599) is 4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine is CC(Nc1nc(Cl)nc(Cl)n1)c1ncc[nH]1.
What is the InChIKey of 4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is PXFJZAYLVRIHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N6/c1-4(5-11-2-3-12-5)13-8-15-6(9)14-7(10)16-8/h2-4H,1H3,(H,11,12)(H,13,14,15,16).
What are the key properties of 4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 259.10 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 106196599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).