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

C10H10F3N5O — CID 136572225

IUPAC2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
SMILESCc1ncc(-c2nc(CCC(F)(F)F)no2)c(N)n1
InChIInChI=1S/C10H10F3N5O/c1-5-15-4-6(8(14)16-5)9-17-7(18-19-9)2-3-10(11,12)13/h4H,2-3H2,1H3,(H2,14,15,16)
InChIKeyYSPQLLSFSKRLEY-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.91
Rot. Bonds3

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

2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine (PubChem CID 136572225) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
PubChem CID136572225
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
SMILESCc1ncc(-c2nc(CCC(F)(F)F)no2)c(N)n1
InChIInChI=1S/C10H10F3N5O/c1-5-15-4-6(8(14)16-5)9-17-7(18-19-9)2-3-10(11,12)13/h4H,2-3H2,1H3,(H2,14,15,16)
InChIKeyYSPQLLSFSKRLEY-UHFFFAOYSA-N
XLogP1.91
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
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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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
4-[[2-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl](methyl)amino]pyrimidine-5-carboxylic acid
CID 72910115
N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfanylpyrimidin-4-amine
CID 162649028
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
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
Ethane;2-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
CID 167516949
6-Methylisoxazolo[5,4-d]pyrimidin-3-amine
CID 71565257

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine (CID 136572225) is 2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine is Cc1ncc(-c2nc(CCC(F)(F)F)no2)c(N)n1.
What is the InChIKey of 2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The InChIKey is YSPQLLSFSKRLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-5-15-4-6(8(14)16-5)9-17-7(18-19-9)2-3-10(11,12)13/h4H,2-3H2,1H3,(H2,14,15,16).
What are the key properties of 2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine has a molecular weight of 273.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 136572225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).