2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine

C7H10FN3S — CID 79026200

IUPAC2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCCF)n1
InChIInChI=1S/C7H10FN3S/c1-5-4-6(9)11-7(10-5)12-3-2-8/h4H,2-3H2,1H3,(H2,9,10,11)
InChIKeyMYTZVZAFFGKIHG-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.43
Rot. Bonds3

About 2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine

2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine (PubChem CID 79026200) has the molecular formula C7H10FN3S and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine
PubChem CID79026200
Molecular FormulaC7H10FN3S
Molecular Weight187.24 g/mol
Exact Mass187.06
IUPAC Name2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCCF)n1
InChIInChI=1S/C7H10FN3S/c1-5-4-6(9)11-7(10-5)12-3-2-8/h4H,2-3H2,1H3,(H2,9,10,11)
InChIKeyMYTZVZAFFGKIHG-UHFFFAOYSA-N
XLogP1.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine (CID 79026200) is 2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine is Cc1cc(N)nc(SCCF)n1.
What is the InChIKey of 2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine?
The InChIKey is MYTZVZAFFGKIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3S/c1-5-4-6(9)11-7(10-5)12-3-2-8/h4H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of 2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine?
2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine has a molecular weight of 187.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 79026200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).