5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine

C7H9BrClN3S — CID 90303735

IUPAC5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1nc(SC)nc(Cl)c1Br
InChIInChI=1S/C7H9BrClN3S/c1-3-10-6-4(8)5(9)11-7(12-6)13-2/h3H2,1-2H3,(H,10,11,12)
InChIKeyDTAXDIRJFSKWCR-UHFFFAOYSA-N
MW282.59 g/mol
LogP3.05
Rot. Bonds3

About 5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine

5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 90303735) has the molecular formula C7H9BrClN3S and a molecular weight of 282.59 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID90303735
Molecular FormulaC7H9BrClN3S
Molecular Weight282.59 g/mol
Exact Mass280.94
IUPAC Name5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1nc(SC)nc(Cl)c1Br
InChIInChI=1S/C7H9BrClN3S/c1-3-10-6-4(8)5(9)11-7(12-6)13-2/h3H2,1-2H3,(H,10,11,12)
InChIKeyDTAXDIRJFSKWCR-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.59
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine (CID 90303735) is 5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine is CCNc1nc(SC)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is DTAXDIRJFSKWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrClN3S/c1-3-10-6-4(8)5(9)11-7(12-6)13-2/h3H2,1-2H3,(H,10,11,12).
What are the key properties of 5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 282.59 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 90303735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).