4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine

C11H11ClN4OS — CID 83084480

IUPAC4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(COc2cccc(Cl)c2)n1
InChIInChI=1S/C11H11ClN4OS/c1-18-11-15-9(14-10(13)16-11)6-17-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyQBTBXCGLZSSKJU-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.41
Rot. Bonds4

About 4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine

4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83084480) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83084480
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(COc2cccc(Cl)c2)n1
InChIInChI=1S/C11H11ClN4OS/c1-18-11-15-9(14-10(13)16-11)6-17-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyQBTBXCGLZSSKJU-UHFFFAOYSA-N
XLogP2.41
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine
CID 22349779
2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323
5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine
CID 117217070
4-chloro-6-[(3-chlorophenoxy)methyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221073
6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine
CID 9137806
2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80655014
6-[(3-nitrophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 32702957
3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972
6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106484983
(1R)-1-[5-[(3-chlorophenoxy)methyl]-2-ethyl-1,2,4-triazol-3-yl]ethanamine;hydrochloride
CID 154912146
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117255925

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83084480) is 4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(COc2cccc(Cl)c2)n1.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is QBTBXCGLZSSKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-18-11-15-9(14-10(13)16-11)6-17-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 282.76 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).