4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine

C11H16F3N3S — CID 65038616

IUPAC4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine
SMILESCc1nc(SC(C(C)N)C(F)(F)F)nc(C)c1C
InChIInChI=1S/C11H16F3N3S/c1-5-7(3)16-10(17-8(5)4)18-9(6(2)15)11(12,13)14/h6,9H,15H2,1-4H3
InChIKeyBVZPZFJGAHWSDY-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.77
Rot. Bonds3

About 4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine

4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine (PubChem CID 65038616) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine
PubChem CID65038616
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine
SMILESCc1nc(SC(C(C)N)C(F)(F)F)nc(C)c1C
InChIInChI=1S/C11H16F3N3S/c1-5-7(3)16-10(17-8(5)4)18-9(6(2)15)11(12,13)14/h6,9H,15H2,1-4H3
InChIKeyBVZPZFJGAHWSDY-UHFFFAOYSA-N
XLogP2.77
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine?
The IUPAC name of 4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine (CID 65038616) is 4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine is Cc1nc(SC(C(C)N)C(F)(F)F)nc(C)c1C.
What is the InChIKey of 4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine?
The InChIKey is BVZPZFJGAHWSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-5-7(3)16-10(17-8(5)4)18-9(6(2)15)11(12,13)14/h6,9H,15H2,1-4H3.
What are the key properties of 4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine?
4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine has a molecular weight of 279.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine is sourced from PubChem (CID 65038616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).