4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine

C11H10BrClN4S — CID 80889048

IUPAC4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C11H10BrClN4S/c1-2-14-10-15-9(13)16-11(17-10)18-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H,14,15,16,17)
InChIKeyAUEDARRYNXIPSY-UHFFFAOYSA-N
MW345.65 g/mol
LogP3.87
Rot. Bonds4

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

4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 80889048) has the molecular formula C11H10BrClN4S and a molecular weight of 345.65 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine
PubChem CID80889048
Molecular FormulaC11H10BrClN4S
Molecular Weight345.65 g/mol
Exact Mass343.95
IUPAC Name4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C11H10BrClN4S/c1-2-14-10-15-9(13)16-11(17-10)18-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H,14,15,16,17)
InChIKeyAUEDARRYNXIPSY-UHFFFAOYSA-N
XLogP3.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80889128
4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887365
4-(3-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80892291
4-chloro-N-ethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886104
[4-(3-bromophenyl)sulfanyl-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80929944
4-(3-chlorophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883029
6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
CID 80889647
4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80894947
6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107604501
N-ethyl-4-(3-methylphenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883594
2-(3-bromophenyl)sulfanyl-4-chloro-6-pyrazol-1-yl-1,3,5-triazine
CID 62866172
2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80754839

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine (CID 80889048) is 4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Sc2cccc(Br)c2)n1.
What is the InChIKey of 4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is AUEDARRYNXIPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4S/c1-2-14-10-15-9(13)16-11(17-10)18-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H,14,15,16,17).
What are the key properties of 4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 345.65 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80889048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).