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

C17H15F3N4O — CID 117090789

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCc1noc(C)c1-c1cc(NCc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C17H15F3N4O/c1-10-16(11(2)25-24-10)14-7-15(23-9-22-14)21-8-12-4-3-5-13(6-12)17(18,19)20/h3-7,9H,8H2,1-2H3,(H,21,22,23)
InChIKeyJGDKDKFGOSGXOL-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.38
Rot. Bonds4

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 117090789) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID117090789
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCc1noc(C)c1-c1cc(NCc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C17H15F3N4O/c1-10-16(11(2)25-24-10)14-7-15(23-9-22-14)21-8-12-4-3-5-13(6-12)17(18,19)20/h3-7,9H,8H2,1-2H3,(H,21,22,23)
InChIKeyJGDKDKFGOSGXOL-UHFFFAOYSA-N
XLogP4.38
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 117090789) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is Cc1noc(C)c1-c1cc(NCc2cccc(C(F)(F)F)c2)ncn1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is JGDKDKFGOSGXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-10-16(11(2)25-24-10)14-7-15(23-9-22-14)21-8-12-4-3-5-13(6-12)17(18,19)20/h3-7,9H,8H2,1-2H3,(H,21,22,23).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 348.33 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 117090789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).