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

C14H13ClN6 — CID 62868476

IUPAC4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(Cl)nc(-n3ccnc3)n2)cc1C
InChIInChI=1S/C14H13ClN6/c1-9-3-4-11(7-10(9)2)17-13-18-12(15)19-14(20-13)21-6-5-16-8-21/h3-8H,1-2H3,(H,17,18,19,20)
InChIKeyNRFCNCOSDIHSBA-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.07
Rot. Bonds3

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

4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62868476) has the molecular formula C14H13ClN6 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62868476
Molecular FormulaC14H13ClN6
Molecular Weight300.75 g/mol
Exact Mass300.09
IUPAC Name4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(Cl)nc(-n3ccnc3)n2)cc1C
InChIInChI=1S/C14H13ClN6/c1-9-3-4-11(7-10(9)2)17-13-18-12(15)19-14(20-13)21-6-5-16-8-21/h3-8H,1-2H3,(H,17,18,19,20)
InChIKeyNRFCNCOSDIHSBA-UHFFFAOYSA-N
XLogP3.07
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62868144
4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62870705
4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868995
4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868980
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 62868994
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
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80738135
N-but-3-ynyl-4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 106194902

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 62868476) is 4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(Cl)nc(-n3ccnc3)n2)cc1C.
What is the InChIKey of 4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is NRFCNCOSDIHSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6/c1-9-3-4-11(7-10(9)2)17-13-18-12(15)19-14(20-13)21-6-5-16-8-21/h3-8H,1-2H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 300.75 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).