6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine

C11H12F3N5O — CID 106774807

IUPAC6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)n1cc(Oc2cc(N)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H12F3N5O/c1-6(2)19-5-7(4-16-19)20-9-3-8(15)17-10(18-9)11(12,13)14/h3-6H,1-2H3,(H2,15,17,18)
InChIKeyWGWDUTKLKSMBHN-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.65
Rot. Bonds3

About 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine

6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774807) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774807
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)n1cc(Oc2cc(N)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H12F3N5O/c1-6(2)19-5-7(4-16-19)20-9-3-8(15)17-10(18-9)11(12,13)14/h3-6H,1-2H3,(H2,15,17,18)
InChIKeyWGWDUTKLKSMBHN-UHFFFAOYSA-N
XLogP2.65
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774807) is 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine is CC(C)n1cc(Oc2cc(N)nc(C(F)(F)F)n2)cn1.
What is the InChIKey of 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WGWDUTKLKSMBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-6(2)19-5-7(4-16-19)20-9-3-8(15)17-10(18-9)11(12,13)14/h3-6H,1-2H3,(H2,15,17,18).
What are the key properties of 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 287.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).