4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine

C13H11ClN6 — CID 62868144

IUPAC4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cccc(Nc2nc(Cl)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C13H11ClN6/c1-9-3-2-4-10(7-9)16-12-17-11(14)18-13(19-12)20-6-5-15-8-20/h2-8H,1H3,(H,16,17,18,19)
InChIKeyKIYKWQVKWZYUJK-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.76
Rot. Bonds3

About 4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 62868144) has the molecular formula C13H11ClN6 and a molecular weight of 286.73 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID62868144
Molecular FormulaC13H11ClN6
Molecular Weight286.73 g/mol
Exact Mass286.07
IUPAC Name4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cccc(Nc2nc(Cl)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C13H11ClN6/c1-9-3-2-4-10(7-9)16-12-17-11(14)18-13(19-12)20-6-5-15-8-20/h2-8H,1H3,(H,16,17,18,19)
InChIKeyKIYKWQVKWZYUJK-UHFFFAOYSA-N
XLogP2.76
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868476
4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62870705
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868980
4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868995
2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80737116
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 62868994
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
4-[[4-chloro-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 59346269
4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62864098
N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62869497

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine (CID 62868144) is 4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine is Cc1cccc(Nc2nc(Cl)nc(-n3ccnc3)n2)c1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is KIYKWQVKWZYUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6/c1-9-3-2-4-10(7-9)16-12-17-11(14)18-13(19-12)20-6-5-15-8-20/h2-8H,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 286.73 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).