4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine

C13H16N4OS — CID 80885176

IUPAC4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(Sc2ccc(C)cc2)n1
InChIInChI=1S/C13H16N4OS/c1-4-18-12-15-11(14-3)16-13(17-12)19-10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3,(H,14,15,16,17)
InChIKeySEXVTVQMWFRLET-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.77
Rot. Bonds5

About 4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine

4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 80885176) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID80885176
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(Sc2ccc(C)cc2)n1
InChIInChI=1S/C13H16N4OS/c1-4-18-12-15-11(14-3)16-13(17-12)19-10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3,(H,14,15,16,17)
InChIKeySEXVTVQMWFRLET-UHFFFAOYSA-N
XLogP2.77
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80885091
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887454
4-(4-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80887574
4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80886405
4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80889694
2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 22999
4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 104604911
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80893393
4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80883595
4-(3-fluorophenyl)sulfanyl-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890427
[4-(3-bromophenyl)sulfanyl-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80929944
2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62859230

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine (CID 80885176) is 4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(Sc2ccc(C)cc2)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is SEXVTVQMWFRLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-4-18-12-15-11(14-3)16-13(17-12)19-10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 276.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80885176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).