4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C9H9BrN4S2 — CID 83084820

IUPAC4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2cc(C)c(Br)s2)n1
InChIInChI=1S/C9H9BrN4S2/c1-4-3-5(16-6(4)10)7-12-8(11)14-9(13-7)15-2/h3H,1-2H3,(H2,11,12,13,14)
InChIKeyULEJGRYSDDTPRD-UHFFFAOYSA-N
MW317.24 g/mol
LogP2.98
Rot. Bonds2

About 4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83084820) has the molecular formula C9H9BrN4S2 and a molecular weight of 317.24 g/mol. Its IUPAC name is 4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83084820
Molecular FormulaC9H9BrN4S2
Molecular Weight317.24 g/mol
Exact Mass315.95
IUPAC Name4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2cc(C)c(Br)s2)n1
InChIInChI=1S/C9H9BrN4S2/c1-4-3-5(16-6(4)10)7-12-8(11)14-9(13-7)15-2/h3H,1-2H3,(H2,11,12,13,14)
InChIKeyULEJGRYSDDTPRD-UHFFFAOYSA-N
XLogP2.98
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83084820) is 4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2cc(C)c(Br)s2)n1.
What is the InChIKey of 4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is ULEJGRYSDDTPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4S2/c1-4-3-5(16-6(4)10)7-12-8(11)14-9(13-7)15-2/h3H,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 317.24 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).