4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

C13H15ClN4OS — CID 46734070

IUPAC4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H15ClN4OS/c1-3-15-11-16-12(19-2)18-13(17-11)20-8-9-4-6-10(14)7-5-9/h4-7H,3,8H2,1-2H3,(H,15,16,17,18)
InChIKeyYGYNFDZTBOOJDZ-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.26
Rot. Bonds6

About 4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 46734070) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID46734070
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H15ClN4OS/c1-3-15-11-16-12(19-2)18-13(17-11)20-8-9-4-6-10(14)7-5-9/h4-7H,3,8H2,1-2H3,(H,15,16,17,18)
InChIKeyYGYNFDZTBOOJDZ-UHFFFAOYSA-N
XLogP3.26
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (CID 46734070) is 4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(SCc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is YGYNFDZTBOOJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-3-15-11-16-12(19-2)18-13(17-11)20-8-9-4-6-10(14)7-5-9/h4-7H,3,8H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 310.81 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 46734070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).