6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H12F3N5O — CID 106774800

IUPAC6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCn1cc(Oc2cc(NC)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H12F3N5O/c1-3-19-6-7(5-16-19)20-9-4-8(15-2)17-10(18-9)11(12,13)14/h4-6H,3H2,1-2H3,(H,15,17,18)
InChIKeyZMOPPGNLJFBPFN-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.55
Rot. Bonds4

About 6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774800) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774800
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCn1cc(Oc2cc(NC)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H12F3N5O/c1-3-19-6-7(5-16-19)20-9-4-8(15-2)17-10(18-9)11(12,13)14/h4-6H,3H2,1-2H3,(H,15,17,18)
InChIKeyZMOPPGNLJFBPFN-UHFFFAOYSA-N
XLogP2.55
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-6-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine
CID 130569656
2-(2-Ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-amine
CID 57818674
3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine
CID 172858626
2-[2-(2,2,2-Trifluoroethyl)pyrazol-3-yl]oxypyrimidin-4-amine
CID 177933436
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-ethoxypyrimidin-4-amine
CID 86816204
4-Chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
CID 106766859
4-Chloro-6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
CID 106766861
4-Chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
CID 106766862
6-(1-methylpyrazol-4-yl)oxy-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774797
N-methyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774798
N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774799
N-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774801

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774800) is 6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CCn1cc(Oc2cc(NC)nc(C(F)(F)F)n2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZMOPPGNLJFBPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-3-19-6-7(5-16-19)20-9-4-8(15-2)17-10(18-9)11(12,13)14/h4-6H,3H2,1-2H3,(H,15,17,18).
What are the key properties of 6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 287.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).