4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine

C9H8F3N5O — CID 141107727

IUPAC4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine
SMILESCn1nc(C(F)(F)F)cc1Oc1ncncc1N
InChIInChI=1S/C9H8F3N5O/c1-17-7(2-6(16-17)9(10,11)12)18-8-5(13)3-14-4-15-8/h2-4H,13H2,1H3
InChIKeyBDSKXCNPZGKJKY-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.60
Rot. Bonds2

About 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine

4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine (PubChem CID 141107727) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine.

Molecular Properties

Compound Name4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine
PubChem CID141107727
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC Name4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine
SMILESCn1nc(C(F)(F)F)cc1Oc1ncncc1N
InChIInChI=1S/C9H8F3N5O/c1-17-7(2-6(16-17)9(10,11)12)18-8-5(13)3-14-4-15-8/h2-4H,13H2,1H3
InChIKeyBDSKXCNPZGKJKY-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-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine?
The IUPAC name of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine (CID 141107727) is 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine.
What is the SMILES notation for 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine?
The canonical SMILES for 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine is Cn1nc(C(F)(F)F)cc1Oc1ncncc1N.
What is the InChIKey of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine?
The InChIKey is BDSKXCNPZGKJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c1-17-7(2-6(16-17)9(10,11)12)18-8-5(13)3-14-4-15-8/h2-4H,13H2,1H3.
What are the key properties of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine?
4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-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-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine is sourced from PubChem (CID 141107727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).