N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine

C11H12F3N5O — CID 114566566

IUPACN-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Oc2cc(C)[nH]n2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5O/c1-3-15-10-16-7(11(12,13)14)5-8(17-10)20-9-4-6(2)18-19-9/h4-5H,3H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyQYHQSFAHOHNZDW-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.75
Rot. Bonds4

About N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566566) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566566
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC NameN-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Oc2cc(C)[nH]n2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5O/c1-3-15-10-16-7(11(12,13)14)5-8(17-10)20-9-4-6(2)18-19-9/h4-5H,3H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyQYHQSFAHOHNZDW-UHFFFAOYSA-N
XLogP2.75
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566566) is N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(Oc2cc(C)[nH]n2)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QYHQSFAHOHNZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-3-15-10-16-7(11(12,13)14)5-8(17-10)20-9-4-6(2)18-19-9/h4-5H,3H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 287.25 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).