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

C9H8F3N5O — CID 114566565

IUPAC4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Oc2cc(C(F)(F)F)nc(N)n2)n[nH]1
InChIInChI=1S/C9H8F3N5O/c1-4-2-7(17-16-4)18-6-3-5(9(10,11)12)14-8(13)15-6/h2-3H,1H3,(H,16,17)(H2,13,14,15)
InChIKeyBIOUAQCWTNQZNO-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.90
Rot. Bonds2

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

4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566565) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566565
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC Name4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Oc2cc(C(F)(F)F)nc(N)n2)n[nH]1
InChIInChI=1S/C9H8F3N5O/c1-4-2-7(17-16-4)18-6-3-5(9(10,11)12)14-8(13)15-6/h2-3H,1H3,(H,16,17)(H2,13,14,15)
InChIKeyBIOUAQCWTNQZNO-UHFFFAOYSA-N
XLogP1.90
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566565) is 4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(Oc2cc(C(F)(F)F)nc(N)n2)n[nH]1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is BIOUAQCWTNQZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c1-4-2-7(17-16-4)18-6-3-5(9(10,11)12)14-8(13)15-6/h2-3H,1H3,(H,16,17)(H2,13,14,15).
What are the key properties of 4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine?
4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 259.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).