4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine

C10H9F3N4OS — CID 106928592

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nc(Sc2cc(C(F)(F)F)nc(N)n2)oc1C
InChIInChI=1S/C10H9F3N4OS/c1-4-5(2)18-9(15-4)19-7-3-6(10(11,12)13)16-8(14)17-7/h3H,1-2H3,(H2,14,16,17)
InChIKeyILVDWYLDOBHZQS-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.83
Rot. Bonds2

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 106928592) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID106928592
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nc(Sc2cc(C(F)(F)F)nc(N)n2)oc1C
InChIInChI=1S/C10H9F3N4OS/c1-4-5(2)18-9(15-4)19-7-3-6(10(11,12)13)16-8(14)17-7/h3H,1-2H3,(H2,14,16,17)
InChIKeyILVDWYLDOBHZQS-UHFFFAOYSA-N
XLogP2.83
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine (CID 106928592) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine is Cc1nc(Sc2cc(C(F)(F)F)nc(N)n2)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ILVDWYLDOBHZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c1-4-5(2)18-9(15-4)19-7-3-6(10(11,12)13)16-8(14)17-7/h3H,1-2H3,(H2,14,16,17).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 290.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 106928592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).