4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine

C7H12N4S — CID 3044745

IUPAC4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCc1nc(NC)nc(SC)n1
InChIInChI=1S/C7H12N4S/c1-4-5-9-6(8-2)11-7(10-5)12-3/h4H2,1-3H3,(H,8,9,10,11)
InChIKeyAKWPXGXCHRMXIE-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.20
Rot. Bonds3

About 4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine

4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 3044745) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID3044745
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCc1nc(NC)nc(SC)n1
InChIInChI=1S/C7H12N4S/c1-4-5-9-6(8-2)11-7(10-5)12-3/h4H2,1-3H3,(H,8,9,10,11)
InChIKeyAKWPXGXCHRMXIE-UHFFFAOYSA-N
XLogP1.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Cyclopropyl-6-(methylthio)-1,3,5-triazin-2-amine
CID 602660
1,3,5-Triazin-2-amine, 4-methyl-6-(methylthio)-
CID 214051
4-(Methylsulfanyl)-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 2782086
N,4-Dimethyl-6-(methylthio)-1,3,5-triazin-2-amine
CID 3044742
1,3,5-Triazin-2-amine, N,4-dimethyl-6-(ethylthio)-
CID 3044743
4-Ethyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine
CID 66490758
ethyl 6(methyl thio)-S-triazine
CID 21851061
4-(2-Fluoropropan-2-yl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 11275703
4-(1-Fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 15430911
2-Amino-4-methylthio-6-(1-fluoroethyl)-1,3,5-triazine
CID 22244965
4-(Tert-butyl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 2782087
4-Methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 83083995

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 3044745) is 4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine is CCc1nc(NC)nc(SC)n1.
What is the InChIKey of 4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is AKWPXGXCHRMXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-4-5-9-6(8-2)11-7(10-5)12-3/h4H2,1-3H3,(H,8,9,10,11).
What are the key properties of 4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 184.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3044745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).