4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine

C13H15BrN4OS — CID 80889128

IUPAC4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C13H15BrN4OS/c1-3-7-15-11-16-12(19-2)18-13(17-11)20-10-6-4-5-9(14)8-10/h4-6,8H,3,7H2,1-2H3,(H,15,16,17,18)
InChIKeyOTKDFPFVTWHFAL-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.62
Rot. Bonds6

About 4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine

4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80889128) has the molecular formula C13H15BrN4OS and a molecular weight of 355.26 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80889128
Molecular FormulaC13H15BrN4OS
Molecular Weight355.26 g/mol
Exact Mass354.01
IUPAC Name4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C13H15BrN4OS/c1-3-7-15-11-16-12(19-2)18-13(17-11)20-10-6-4-5-9(14)8-10/h4-6,8H,3,7H2,1-2H3,(H,15,16,17,18)
InChIKeyOTKDFPFVTWHFAL-UHFFFAOYSA-N
XLogP3.62
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887365
4-(3-chlorophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80892069
4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80883595
[4-(3-bromophenyl)sulfanyl-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80929944
4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 80889048
4-(3,4-dimethylphenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893106
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 102927014
4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine
CID 80888876
4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107785128
4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 79743156
4-methoxy-6-(3-methoxyphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865867
4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80889440

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine (CID 80889128) is 4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(Sc2cccc(Br)c2)n1.
What is the InChIKey of 4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is OTKDFPFVTWHFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4OS/c1-3-7-15-11-16-12(19-2)18-13(17-11)20-10-6-4-5-9(14)8-10/h4-6,8H,3,7H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 355.26 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80889128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).