2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione

C12H14N4OS — CID 83241772

IUPAC2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione
SMILESCc1cccc(OCCc2nc(=S)nc(N)[nH]2)c1
InChIInChI=1S/C12H14N4OS/c1-8-3-2-4-9(7-8)17-6-5-10-14-11(13)16-12(18)15-10/h2-4,7H,5-6H2,1H3,(H3,13,14,15,16,18)
InChIKeyMIAFNFZRGSCXFE-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.05
Rot. Bonds4

About 2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione

2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione (PubChem CID 83241772) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione
PubChem CID83241772
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione
SMILESCc1cccc(OCCc2nc(=S)nc(N)[nH]2)c1
InChIInChI=1S/C12H14N4OS/c1-8-3-2-4-9(7-8)17-6-5-10-14-11(13)16-12(18)15-10/h2-4,7H,5-6H2,1H3,(H3,13,14,15,16,18)
InChIKeyMIAFNFZRGSCXFE-UHFFFAOYSA-N
XLogP2.05
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione
CID 83240427
2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 43236517
4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 82940636
6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine
CID 79795712
3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline
CID 82474930
4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 115911909
N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79817012
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
4-amino-3-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione
CID 29070772
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione (CID 83241772) is 2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione is Cc1cccc(OCCc2nc(=S)nc(N)[nH]2)c1.
What is the InChIKey of 2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione?
The InChIKey is MIAFNFZRGSCXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-3-2-4-9(7-8)17-6-5-10-14-11(13)16-12(18)15-10/h2-4,7H,5-6H2,1H3,(H3,13,14,15,16,18).
What are the key properties of 2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione?
2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione has a molecular weight of 262.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 83241772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).