5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine

C10H10F3N5O — CID 12056711

IUPAC5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine
SMILESCc1cnc(N)nc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C10H10F3N5O/c1-5-4-15-9(14)16-8(5)19-7-3-6(10(11,12)13)17-18(7)2/h3-4H,1-2H3,(H2,14,15,16)
InChIKeyUKAGCCKSOLFDBQ-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.91
Rot. Bonds2

About 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine

5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine (PubChem CID 12056711) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine
PubChem CID12056711
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine
SMILESCc1cnc(N)nc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C10H10F3N5O/c1-5-4-15-9(14)16-8(5)19-7-3-6(10(11,12)13)17-18(7)2/h3-4H,1-2H3,(H2,14,15,16)
InChIKeyUKAGCCKSOLFDBQ-UHFFFAOYSA-N
XLogP1.91
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine?
The IUPAC name of 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine (CID 12056711) is 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine is Cc1cnc(N)nc1Oc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine?
The InChIKey is UKAGCCKSOLFDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-5-4-15-9(14)16-8(5)19-7-3-6(10(11,12)13)17-18(7)2/h3-4H,1-2H3,(H2,14,15,16).
What are the key properties of 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine?
5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine has a molecular weight of 273.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-amine is sourced from PubChem (CID 12056711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).