N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine

C13H16N4OS — CID 80887454

IUPACN-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Sc2ccccc2)n1
InChIInChI=1S/C13H16N4OS/c1-3-9-18-12-15-11(14-2)16-13(17-12)19-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,14,15,16,17)
InChIKeyOLYZDLFRGPYHMP-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.85
Rot. Bonds6

About N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine

N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80887454) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80887454
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Sc2ccccc2)n1
InChIInChI=1S/C13H16N4OS/c1-3-9-18-12-15-11(14-2)16-13(17-12)19-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,14,15,16,17)
InChIKeyOLYZDLFRGPYHMP-UHFFFAOYSA-N
XLogP2.85
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.85
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
4-(3-fluorophenyl)sulfanyl-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890427
N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80892179
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890630
4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80885176
N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894790
(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924638
4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80772443
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 115384338
4-(2-methoxyphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80867540
N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887898

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine (CID 80887454) is N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(Sc2ccccc2)n1.
What is the InChIKey of N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is OLYZDLFRGPYHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-9-18-12-15-11(14-2)16-13(17-12)19-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine?
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 276.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).