N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine

C11H12F3N5O — CID 106774799

IUPACN-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Oc2cnn(C)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5O/c1-3-15-8-4-9(18-10(17-8)11(12,13)14)20-7-5-16-19(2)6-7/h4-6H,3H2,1-2H3,(H,15,17,18)
InChIKeyZRTQJJFJFSGTAQ-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.45
Rot. Bonds4

About N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine

N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774799) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774799
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC NameN-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Oc2cnn(C)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5O/c1-3-15-8-4-9(18-10(17-8)11(12,13)14)20-7-5-16-19(2)6-7/h4-6H,3H2,1-2H3,(H,15,17,18)
InChIKeyZRTQJJFJFSGTAQ-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
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
6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774800
N-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774801

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774799) is N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(Oc2cnn(C)c2)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZRTQJJFJFSGTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-3-15-8-4-9(18-10(17-8)11(12,13)14)20-7-5-16-19(2)6-7/h4-6H,3H2,1-2H3,(H,15,17,18).
What are the key properties of N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 287.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).