6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H16F3N3S — CID 106774956

IUPAC6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(SC(C)CC)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3S/c1-4-7(3)18-9-6-8(15-5-2)16-10(17-9)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyCGGOSOWAOZNGNS-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.82
Rot. Bonds5

About 6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774956) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774956
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(SC(C)CC)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3S/c1-4-7(3)18-9-6-8(15-5-2)16-10(17-9)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyCGGOSOWAOZNGNS-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774956) is 6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(SC(C)CC)nc(C(F)(F)F)n1.
What is the InChIKey of 6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is CGGOSOWAOZNGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-4-7(3)18-9-6-8(15-5-2)16-10(17-9)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 279.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-ylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).