2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine

C6H9FN4S — CID 79026182

IUPAC2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCCF)n1
InChIInChI=1S/C6H9FN4S/c7-1-2-12-6-10-4(8)3-5(9)11-6/h3H,1-2H2,(H4,8,9,10,11)
InChIKeyNCNPGJYLJDXYFJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.70
Rot. Bonds3

About 2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine

2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine (PubChem CID 79026182) has the molecular formula C6H9FN4S and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine
PubChem CID79026182
Molecular FormulaC6H9FN4S
Molecular Weight188.23 g/mol
Exact Mass188.05
IUPAC Name2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCCF)n1
InChIInChI=1S/C6H9FN4S/c7-1-2-12-6-10-4(8)3-5(9)11-6/h3H,1-2H2,(H4,8,9,10,11)
InChIKeyNCNPGJYLJDXYFJ-UHFFFAOYSA-N
XLogP0.70
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine (CID 79026182) is 2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine is Nc1cc(N)nc(SCCF)n1.
What is the InChIKey of 2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine?
The InChIKey is NCNPGJYLJDXYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4S/c7-1-2-12-6-10-4(8)3-5(9)11-6/h3H,1-2H2,(H4,8,9,10,11).
What are the key properties of 2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine?
2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine has a molecular weight of 188.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylsulfanyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 79026182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).