2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C11H15BrN6S — CID 80805230

IUPAC2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N(C)Cc2csc(Br)c2)n1
InChIInChI=1S/C11H15BrN6S/c1-17(2)10-14-9(13)15-11(16-10)18(3)5-7-4-8(12)19-6-7/h4,6H,5H2,1-3H3,(H2,13,14,15,16)
InChIKeyVWWSFDPMCXLWBM-UHFFFAOYSA-N
MW343.25 g/mol
LogP1.98
Rot. Bonds4

About 2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine

2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80805230) has the molecular formula C11H15BrN6S and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80805230
Molecular FormulaC11H15BrN6S
Molecular Weight343.25 g/mol
Exact Mass342.03
IUPAC Name2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N(C)Cc2csc(Br)c2)n1
InChIInChI=1S/C11H15BrN6S/c1-17(2)10-14-9(13)15-11(16-10)18(3)5-7-4-8(12)19-6-7/h4,6H,5H2,1-3H3,(H2,13,14,15,16)
InChIKeyVWWSFDPMCXLWBM-UHFFFAOYSA-N
XLogP1.98
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541784
4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80805322
4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80804328
2-N,4-N,4-N-trimethyl-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80764929
2-N-[(5-bromothiophen-3-yl)methyl]-6-chloro-2-N-methylpyridine-2,3-diamine
CID 113316842
2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80839437
2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80806010
N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80963819
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208958
5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine
CID 62768599
5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018219
1-N-[(5-bromothiophen-3-yl)methyl]-4-chloro-5-fluoro-1-N-methylbenzene-1,2-diamine
CID 66078403

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80805230) is 2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(N(C)Cc2csc(Br)c2)n1.
What is the InChIKey of 2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VWWSFDPMCXLWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN6S/c1-17(2)10-14-9(13)15-11(16-10)18(3)5-7-4-8(12)19-6-7/h4,6H,5H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 343.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80805230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).