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

C11H12F3N5O — CID 106774805

IUPAC6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCn1cc(Oc2cc(N)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H12F3N5O/c1-2-3-19-6-7(5-16-19)20-9-4-8(15)17-10(18-9)11(12,13)14/h4-6H,2-3H2,1H3,(H2,15,17,18)
InChIKeyQOEABFAUXZDKMU-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.48
Rot. Bonds4

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

6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774805) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774805
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCn1cc(Oc2cc(N)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H12F3N5O/c1-2-3-19-6-7(5-16-19)20-9-4-8(15)17-10(18-9)11(12,13)14/h4-6H,2-3H2,1H3,(H2,15,17,18)
InChIKeyQOEABFAUXZDKMU-UHFFFAOYSA-N
XLogP2.48
TPSA78.85 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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Ethoxy-6-pyrazol-1-ylpyrimidine
CID 10702836
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
N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine
CID 163746878
[4-[5-(Difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate
CID 175520164
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

Frequently Asked Questions

What is the IUPAC name of 6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774805) is 6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine is CCCn1cc(Oc2cc(N)nc(C(F)(F)F)n2)cn1.
What is the InChIKey of 6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is QOEABFAUXZDKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-2-3-19-6-7(5-16-19)20-9-4-8(15)17-10(18-9)11(12,13)14/h4-6H,2-3H2,1H3,(H2,15,17,18).
What are the key properties of 6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 287.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).