4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C12H14N4OS — CID 78909366

IUPAC4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCOc1ccccc1-c1nc(N)nc(SC)n1
InChIInChI=1S/C12H14N4OS/c1-3-17-9-7-5-4-6-8(9)10-14-11(13)16-12(15-10)18-2/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyXIDMOFSFHSCLGZ-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.24
Rot. Bonds4

About 4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 78909366) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID78909366
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCOc1ccccc1-c1nc(N)nc(SC)n1
InChIInChI=1S/C12H14N4OS/c1-3-17-9-7-5-4-6-8(9)10-14-11(13)16-12(15-10)18-2/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyXIDMOFSFHSCLGZ-UHFFFAOYSA-N
XLogP2.24
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-ethoxyphenyl)-1,3,5-triazin-2-amine
CID 115534558
2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351905
4-(2-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 102882416
4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909346
5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine
CID 115534586
3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 115534345
5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine
CID 66311864
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
CID 61277730
4-(2-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 63867600
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 115533139
ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 54851455
3-(2-ethoxyphenyl)-1,2,4-triazine
CID 139592958

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 78909366) is 4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CCOc1ccccc1-c1nc(N)nc(SC)n1.
What is the InChIKey of 4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is XIDMOFSFHSCLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-3-17-9-7-5-4-6-8(9)10-14-11(13)16-12(15-10)18-2/h4-7H,3H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 262.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 78909366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).