6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

C10H14F3N3S — CID 107765563

IUPAC6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)C(C)Sc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3S/c1-5(2)6(3)17-8-4-7(14)15-9(16-8)10(11,12)13/h4-6H,1-3H3,(H2,14,15,16)
InChIKeyYNZHHMXKDJIUTB-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.21
Rot. Bonds3

About 6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 107765563) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID107765563
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)C(C)Sc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3S/c1-5(2)6(3)17-8-4-7(14)15-9(16-8)10(11,12)13/h4-6H,1-3H3,(H2,14,15,16)
InChIKeyYNZHHMXKDJIUTB-UHFFFAOYSA-N
XLogP3.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 107765563) is 6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is CC(C)C(C)Sc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YNZHHMXKDJIUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-5(2)6(3)17-8-4-7(14)15-9(16-8)10(11,12)13/h4-6H,1-3H3,(H2,14,15,16).
What are the key properties of 6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 265.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 107765563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).