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

C10H12F3N5O — CID 167516949

IUPACethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
SMILESCC.Cc1ncc(-c2nc(C(F)(F)F)no2)c(N)n1
InChIInChI=1S/C8H6F3N5O.C2H6/c1-3-13-2-4(5(12)14-3)6-15-7(16-17-6)8(9,10)11;1-2/h2H,1H3,(H2,12,13,14);1-2H3
InChIKeyWXYOFVCAYDALTN-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.46
Rot. Bonds1

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

ethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine (PubChem CID 167516949) has the molecular formula C10H12F3N5O and a molecular weight of 275.23 g/mol. Its IUPAC name is ethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
PubChem CID167516949
Molecular FormulaC10H12F3N5O
Molecular Weight275.23 g/mol
Exact Mass275.10
IUPAC Nameethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
SMILESCC.Cc1ncc(-c2nc(C(F)(F)F)no2)c(N)n1
InChIInChI=1S/C8H6F3N5O.C2H6/c1-3-13-2-4(5(12)14-3)6-15-7(16-17-6)8(9,10)11;1-2/h2H,1H3,(H2,12,13,14);1-2H3
InChIKeyWXYOFVCAYDALTN-UHFFFAOYSA-N
XLogP2.46
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US9670193, 26 (R)-N-(1-(dimethylamino)propan-2-yl)-2-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide
CID 89601211
N-Ethyl-5-{3-[(1-methylpiperidin-4-YL)methyl]-1,2,4-oxadiazol-5-YL}pyrimidin-2-amine
CID 56717229
N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91893645
N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(methylamino)pyrimidine-5-carboxamide
CID 131920608
2-Methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
CID 136572225
N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide
CID 71577199
5-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-amine
CID 89542805
2-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxylic acid
CID 89601201
N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide
CID 135326215
N-[(2R)-1-(dimethylamino)but-3-en-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide
CID 145585238
6-Methylisoxazolo[5,4-d]pyrimidin-3-amine
CID 71565257
1,1,1-Trifluoro-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 81838707

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The IUPAC name of ethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine (CID 167516949) is ethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for ethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for ethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine is CC.Cc1ncc(-c2nc(C(F)(F)F)no2)c(N)n1.
What is the InChIKey of ethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The InChIKey is WXYOFVCAYDALTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5O.C2H6/c1-3-13-2-4(5(12)14-3)6-15-7(16-17-6)8(9,10)11;1-2/h2H,1H3,(H2,12,13,14);1-2H3.
What are the key properties of ethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
ethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine has a molecular weight of 275.23 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 167516949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).