6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H11F3N4OS — CID 106928261

IUPAC6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Sc2ncco2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4OS/c1-2-3-15-7-6-8(20-10-16-4-5-19-10)18-9(17-7)11(12,13)14/h4-6H,2-3H2,1H3,(H,15,17,18)
InChIKeyBOMUPVHOIZGBFO-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.46
Rot. Bonds5

About 6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106928261) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is 6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106928261
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC Name6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Sc2ncco2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4OS/c1-2-3-15-7-6-8(20-10-16-4-5-19-10)18-9(17-7)11(12,13)14/h4-6H,2-3H2,1H3,(H,15,17,18)
InChIKeyBOMUPVHOIZGBFO-UHFFFAOYSA-N
XLogP3.46
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106928261) is 6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(Sc2ncco2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BOMUPVHOIZGBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-2-3-15-7-6-8(20-10-16-4-5-19-10)18-9(17-7)11(12,13)14/h4-6H,2-3H2,1H3,(H,15,17,18).
What are the key properties of 6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 304.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106928261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).