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

C12H14F3N5O — CID 106774801

IUPACN-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Oc2cnn(CC)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5O/c1-3-16-9-5-10(19-11(18-9)12(13,14)15)21-8-6-17-20(4-2)7-8/h5-7H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyPQZSKAAVYWIJLI-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.94
Rot. Bonds5

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

N-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774801) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is N-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774801
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC NameN-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Oc2cnn(CC)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5O/c1-3-16-9-5-10(19-11(18-9)12(13,14)15)21-8-6-17-20(4-2)7-8/h5-7H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyPQZSKAAVYWIJLI-UHFFFAOYSA-N
XLogP2.94
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.94
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
6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774800

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774801) is N-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(Oc2cnn(CC)c2)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PQZSKAAVYWIJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-3-16-9-5-10(19-11(18-9)12(13,14)15)21-8-6-17-20(4-2)7-8/h5-7H,3-4H2,1-2H3,(H,16,18,19).
What are the key properties of N-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 301.27 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).