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

C9H8F3N5O — CID 114566615

IUPAC4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCn1cc(Oc2cc(C(F)(F)F)nc(N)n2)cn1
InChIInChI=1S/C9H8F3N5O/c1-17-4-5(3-14-17)18-7-2-6(9(10,11)12)15-8(13)16-7/h2-4H,1H3,(H2,13,15,16)
InChIKeyLKVLIMGZTFJSLZ-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.60
Rot. Bonds2

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

4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566615) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566615
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC Name4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCn1cc(Oc2cc(C(F)(F)F)nc(N)n2)cn1
InChIInChI=1S/C9H8F3N5O/c1-17-4-5(3-14-17)18-7-2-6(9(10,11)12)15-8(13)16-7/h2-4H,1H3,(H2,13,15,16)
InChIKeyLKVLIMGZTFJSLZ-UHFFFAOYSA-N
XLogP1.60
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566615) is 4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine is Cn1cc(Oc2cc(C(F)(F)F)nc(N)n2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is LKVLIMGZTFJSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c1-17-4-5(3-14-17)18-7-2-6(9(10,11)12)15-8(13)16-7/h2-4H,1H3,(H2,13,15,16).
What are the key properties of 4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 259.19 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).