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

C7H6BrN5S — CID 53433279

IUPAC6-(5-bromothiophen-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(Br)s2)n1
InChIInChI=1S/C7H6BrN5S/c8-4-2-1-3(14-4)5-11-6(9)13-7(10)12-5/h1-2H,(H4,9,10,11,12,13)
InChIKeyBGUGJCQWNBAYKV-UHFFFAOYSA-N
MW272.13 g/mol
LogP1.53
Rot. Bonds1

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

6-(5-bromothiophen-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 53433279) has the molecular formula C7H6BrN5S and a molecular weight of 272.13 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID53433279
Molecular FormulaC7H6BrN5S
Molecular Weight272.13 g/mol
Exact Mass270.95
IUPAC Name6-(5-bromothiophen-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(Br)s2)n1
InChIInChI=1S/C7H6BrN5S/c8-4-2-1-3(14-4)5-11-6(9)13-7(10)12-5/h1-2H,(H4,9,10,11,12,13)
InChIKeyBGUGJCQWNBAYKV-UHFFFAOYSA-N
XLogP1.53
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromothiophen-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5-bromothiophen-2-yl)-1,3,5-triazine-2,4-diamine (CID 53433279) is 6-(5-bromothiophen-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2ccc(Br)s2)n1.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BGUGJCQWNBAYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN5S/c8-4-2-1-3(14-4)5-11-6(9)13-7(10)12-5/h1-2H,(H4,9,10,11,12,13).
What are the key properties of 6-(5-bromothiophen-2-yl)-1,3,5-triazine-2,4-diamine?
6-(5-bromothiophen-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 272.13 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 53433279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).