4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine

C13H15ClN4OS — CID 80879645

IUPAC4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(Oc2ccccc2SC)n1
InChIInChI=1S/C13H15ClN4OS/c1-3-8-15-12-16-11(14)17-13(18-12)19-9-6-4-5-7-10(9)20-2/h4-7H,3,8H2,1-2H3,(H,15,16,17,18)
InChIKeyXNGCNSFVYYEVMQ-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.86
Rot. Bonds6

About 4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80879645) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine
PubChem CID80879645
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(Oc2ccccc2SC)n1
InChIInChI=1S/C13H15ClN4OS/c1-3-8-15-12-16-11(14)17-13(18-12)19-9-6-4-5-7-10(9)20-2/h4-7H,3,8H2,1-2H3,(H,15,16,17,18)
InChIKeyXNGCNSFVYYEVMQ-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869787
4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80882090
6-(2-methylsulfanylphenoxy)-N-propylpyridin-2-amine
CID 80880347
4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 116691277
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine
CID 107645630
4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80886573
4-chloro-6-(2-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863834
4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80876402
4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
CID 102723608
4-chloro-6-(2-methylbutan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
CID 80862183
4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80872051

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine (CID 80879645) is 4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(Oc2ccccc2SC)n1.
What is the InChIKey of 4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is XNGCNSFVYYEVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-3-8-15-12-16-11(14)17-13(18-12)19-9-6-4-5-7-10(9)20-2/h4-7H,3,8H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 310.81 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80879645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).