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

C7H12N4OS — CID 83084707

IUPAC4-(ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCOCc1nc(N)nc(SC)n1
InChIInChI=1S/C7H12N4OS/c1-3-12-4-5-9-6(8)11-7(10-5)13-2/h3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyKFBJABBKTXRVHW-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.71
Rot. Bonds4

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

4-(ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83084707) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 4-(ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83084707
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name4-(ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCOCc1nc(N)nc(SC)n1
InChIInChI=1S/C7H12N4OS/c1-3-12-4-5-9-6(8)11-7(10-5)13-2/h3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyKFBJABBKTXRVHW-UHFFFAOYSA-N
XLogP0.71
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103206957
6-(Methoxymethyl)-1,3,5-triazine-2,4-diamine
CID 10844617
methyl N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamimidothioate
CID 19911827
4-Methoxymethyl-6-methylthio-2-amino-1,3,5-triazine
CID 22349738
methyl N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamimidothioate
CID 57285367
2-(Methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine
CID 67234767
4-(2-Methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 103019727
4-(Ethoxymethyl)-6-methoxy-1,3,5-triazin-2-amine
CID 11972195
4-(Methoxymethyl)-6-methyl-1,3,5-triazin-2-amine
CID 13729305
4-Methoxy-6-(methoxymethyl)-1,3,5-triazin-2-amine
CID 13729306
4-(Ethoxymethyl)-6-methyl-1,3,5-triazin-2-amine
CID 65669460
(4-Amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol
CID 83083879

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83084707) is 4-(ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CCOCc1nc(N)nc(SC)n1.
What is the InChIKey of 4-(ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is KFBJABBKTXRVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-3-12-4-5-9-6(8)11-7(10-5)13-2/h3-4H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-(ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 200.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).