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

C16H14N4OS — CID 20765764

IUPAC4-methylsulfanyl-6-(4-phenoxyphenyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C16H14N4OS/c1-22-16-19-14(18-15(17)20-16)11-7-9-13(10-8-11)21-12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18,19,20)
InChIKeyPJWQFGYKOYOZRP-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.63
Rot. Bonds4

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

4-methylsulfanyl-6-(4-phenoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 20765764) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(4-phenoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(4-phenoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID20765764
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name4-methylsulfanyl-6-(4-phenoxyphenyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C16H14N4OS/c1-22-16-19-14(18-15(17)20-16)11-7-9-13(10-8-11)21-12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18,19,20)
InChIKeyPJWQFGYKOYOZRP-UHFFFAOYSA-N
XLogP3.63
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(4-phenoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(4-phenoxyphenyl)-1,3,5-triazin-2-amine (CID 20765764) is 4-methylsulfanyl-6-(4-phenoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(4-phenoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(4-phenoxyphenyl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 4-methylsulfanyl-6-(4-phenoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is PJWQFGYKOYOZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-22-16-19-14(18-15(17)20-16)11-7-9-13(10-8-11)21-12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18,19,20).
What are the key properties of 4-methylsulfanyl-6-(4-phenoxyphenyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(4-phenoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 310.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(4-phenoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 20765764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).