methyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate

C8H12N4O2S — CID 21454664

IUPACmethyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate
SMILESCCc1nc(NC(=O)OC)nc(SC)n1
InChIInChI=1S/C8H12N4O2S/c1-4-5-9-6(12-8(13)14-2)11-7(10-5)15-3/h4H2,1-3H3,(H,9,10,11,12,13)
InChIKeyHKINXVRJEUJIHZ-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.33
Rot. Bonds3

About methyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate

methyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate (PubChem CID 21454664) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is methyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate
PubChem CID21454664
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Namemethyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate
SMILESCCc1nc(NC(=O)OC)nc(SC)n1
InChIInChI=1S/C8H12N4O2S/c1-4-5-9-6(12-8(13)14-2)11-7(10-5)15-3/h4H2,1-3H3,(H,9,10,11,12,13)
InChIKeyHKINXVRJEUJIHZ-UHFFFAOYSA-N
XLogP1.33
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of methyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate (CID 21454664) is methyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for methyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for methyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate is CCc1nc(NC(=O)OC)nc(SC)n1.
What is the InChIKey of methyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate?
The InChIKey is HKINXVRJEUJIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-4-5-9-6(12-8(13)14-2)11-7(10-5)15-3/h4H2,1-3H3,(H,9,10,11,12,13).
What are the key properties of methyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate?
methyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate has a molecular weight of 228.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 21454664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).