6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C9H10BrN5S — CID 79601794

IUPAC6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(-c2cscc2Br)n1
InChIInChI=1S/C9H10BrN5S/c1-15(2)9-13-7(12-8(11)14-9)5-3-16-4-6(5)10/h3-4H,1-2H3,(H2,11,12,13,14)
InChIKeySJUAUDMZUVHEQU-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.01
Rot. Bonds2

About 6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 79601794) has the molecular formula C9H10BrN5S and a molecular weight of 300.19 g/mol. Its IUPAC name is 6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID79601794
Molecular FormulaC9H10BrN5S
Molecular Weight300.19 g/mol
Exact Mass298.98
IUPAC Name6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(-c2cscc2Br)n1
InChIInChI=1S/C9H10BrN5S/c1-15(2)9-13-7(12-8(11)14-9)5-3-16-4-6(5)10/h3-4H,1-2H3,(H2,11,12,13,14)
InChIKeySJUAUDMZUVHEQU-UHFFFAOYSA-N
XLogP2.01
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 79601794) is 6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(-c2cscc2Br)n1.
What is the InChIKey of 6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SJUAUDMZUVHEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5S/c1-15(2)9-13-7(12-8(11)14-9)5-3-16-4-6(5)10/h3-4H,1-2H3,(H2,11,12,13,14).
What are the key properties of 6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 300.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 79601794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).