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

C7H12N4OS — CID 83083889

IUPAC4-(2-methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCOCCc1nc(N)nc(SC)n1
InChIInChI=1S/C7H12N4OS/c1-12-4-3-5-9-6(8)11-7(10-5)13-2/h3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyMFOSAHKYQNAMIY-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.36
Rot. Bonds4

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

4-(2-methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83083889) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83083889
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name4-(2-methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCOCCc1nc(N)nc(SC)n1
InChIInChI=1S/C7H12N4OS/c1-12-4-3-5-9-6(8)11-7(10-5)13-2/h3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyMFOSAHKYQNAMIY-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83083889) is 4-(2-methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is COCCc1nc(N)nc(SC)n1.
What is the InChIKey of 4-(2-methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is MFOSAHKYQNAMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-12-4-3-5-9-6(8)11-7(10-5)13-2/h3-4H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-(2-methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(2-methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 200.27 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83083889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).