6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

C8H10F3N3S — CID 106775056

IUPAC6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)Sc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3S/c1-4(2)15-6-3-5(12)13-7(14-6)8(9,10)11/h3-4H,1-2H3,(H2,12,13,14)
InChIKeySIBJEODPJSXGDP-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.58
Rot. Bonds2

About 6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775056) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775056
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)Sc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3S/c1-4(2)15-6-3-5(12)13-7(14-6)8(9,10)11/h3-4H,1-2H3,(H2,12,13,14)
InChIKeySIBJEODPJSXGDP-UHFFFAOYSA-N
XLogP2.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775056) is 6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is CC(C)Sc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SIBJEODPJSXGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c1-4(2)15-6-3-5(12)13-7(14-6)8(9,10)11/h3-4H,1-2H3,(H2,12,13,14).
What are the key properties of 6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 237.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).