2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine

C7H11N3OS — CID 67234767

IUPAC2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine
SMILESCOCc1nc(C)nc(SC)n1
InChIInChI=1S/C7H11N3OS/c1-5-8-6(4-11-2)10-7(9-5)12-3/h4H2,1-3H3
InChIKeyXHRFXNNMQHYOES-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.05
Rot. Bonds3

About 2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine

2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine (PubChem CID 67234767) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine
PubChem CID67234767
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine
SMILESCOCc1nc(C)nc(SC)n1
InChIInChI=1S/C7H11N3OS/c1-5-8-6(4-11-2)10-7(9-5)12-3/h4H2,1-3H3
InChIKeyXHRFXNNMQHYOES-UHFFFAOYSA-N
XLogP1.05
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103206957
4-Methoxymethyl-6-methylthio-2-amino-1,3,5-triazine
CID 22349738
2-Methoxy-4-methyl-6-methylsulfanyl-1,3,5-triazine
CID 141834651
[4,6-Bis(methylsulfanyl)-1,3,5-triazin-2-yl]methyl acetate
CID 21822830
(4-Amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol
CID 83083879
4-(Ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084707
2,4,6-Tris(methoxymethyl)-1,3,5-triazine
CID 101052897
4-(1-Methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 104095298
4-Methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
CID 107938607
4-(2-Methoxyethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 108048678
4-Methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine
CID 112602545
4,6-Bis(methylthio)-1,3,5-triazine-2-methanol
CID 165349341

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine?
The IUPAC name of 2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine (CID 67234767) is 2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine is COCc1nc(C)nc(SC)n1.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine?
The InChIKey is XHRFXNNMQHYOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-5-8-6(4-11-2)10-7(9-5)12-3/h4H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine?
2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine has a molecular weight of 185.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 67234767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).