2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine

C8H6F3N5O — CID 167516950

IUPAC2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
SMILESCc1ncc(-c2nc(C(F)(F)F)no2)c(N)n1
InChIInChI=1S/C8H6F3N5O/c1-3-13-2-4(5(12)14-3)6-15-7(16-17-6)8(9,10)11/h2H,1H3,(H2,12,13,14)
InChIKeyRUCAAKQHBGHTHZ-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.44
Rot. Bonds1

About 2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine

2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine (PubChem CID 167516950) has the molecular formula C8H6F3N5O and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
PubChem CID167516950
Molecular FormulaC8H6F3N5O
Molecular Weight245.16 g/mol
Exact Mass245.05
IUPAC Name2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
SMILESCc1ncc(-c2nc(C(F)(F)F)no2)c(N)n1
InChIInChI=1S/C8H6F3N5O/c1-3-13-2-4(5(12)14-3)6-15-7(16-17-6)8(9,10)11/h2H,1H3,(H2,12,13,14)
InChIKeyRUCAAKQHBGHTHZ-UHFFFAOYSA-N
XLogP1.44
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine (CID 167516950) is 2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine is Cc1ncc(-c2nc(C(F)(F)F)no2)c(N)n1.
What is the InChIKey of 2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The InChIKey is RUCAAKQHBGHTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5O/c1-3-13-2-4(5(12)14-3)6-15-7(16-17-6)8(9,10)11/h2H,1H3,(H2,12,13,14).
What are the key properties of 2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine has a molecular weight of 245.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 167516950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).