6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

C13H16BrN5S — CID 80888786

IUPAC6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C13H16BrN5S/c1-3-19(4-2)12-16-11(15)17-13(18-12)20-10-7-5-6-9(14)8-10/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyDKRQNMYCCCRZBF-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.21
Rot. Bonds5

About 6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80888786) has the molecular formula C13H16BrN5S and a molecular weight of 354.28 g/mol. Its IUPAC name is 6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID80888786
Molecular FormulaC13H16BrN5S
Molecular Weight354.28 g/mol
Exact Mass353.03
IUPAC Name6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C13H16BrN5S/c1-3-19(4-2)12-16-11(15)17-13(18-12)20-10-7-5-6-9(14)8-10/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyDKRQNMYCCCRZBF-UHFFFAOYSA-N
XLogP3.21
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80883734
2-N,2-N-diethyl-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80883814
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 102927066
2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80891744
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80891433
2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine
CID 80885759
2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888494
6-(3-bromophenyl)sulfanylpyridin-2-amine
CID 80652450
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925981
2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80887073
4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 80889048
[4-(3-bromophenyl)sulfanyl-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80929944

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (CID 80888786) is 6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(Sc2cccc(Br)c2)n1.
What is the InChIKey of 6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DKRQNMYCCCRZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5S/c1-3-19(4-2)12-16-11(15)17-13(18-12)20-10-7-5-6-9(14)8-10/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 354.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80888786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).