5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C10H10F3N5O3 — CID 121210402

IUPAC5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCNCc1nc(-c2cn(CC(F)(F)F)c(=O)[nH]c2=O)no1
InChIInChI=1S/C10H10F3N5O3/c1-14-2-6-15-7(17-21-6)5-3-18(4-10(11,12)13)9(20)16-8(5)19/h3,14H,2,4H2,1H3,(H,16,19,20)
InChIKeyORRSCFGUMKJBKL-UHFFFAOYSA-N
MW305.22 g/mol
LogP-0.13
Rot. Bonds4

About 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 121210402) has the molecular formula C10H10F3N5O3 and a molecular weight of 305.22 g/mol. Its IUPAC name is 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID121210402
Molecular FormulaC10H10F3N5O3
Molecular Weight305.22 g/mol
Exact Mass305.07
IUPAC Name5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCNCc1nc(-c2cn(CC(F)(F)F)c(=O)[nH]c2=O)no1
InChIInChI=1S/C10H10F3N5O3/c1-14-2-6-15-7(17-21-6)5-3-18(4-10(11,12)13)9(20)16-8(5)19/h3,14H,2,4H2,1H3,(H,16,19,20)
InChIKeyORRSCFGUMKJBKL-UHFFFAOYSA-N
XLogP-0.13
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 121210402) is 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is CNCc1nc(-c2cn(CC(F)(F)F)c(=O)[nH]c2=O)no1.
What is the InChIKey of 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is ORRSCFGUMKJBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O3/c1-14-2-6-15-7(17-21-6)5-3-18(4-10(11,12)13)9(20)16-8(5)19/h3,14H,2,4H2,1H3,(H,16,19,20).
What are the key properties of 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 305.22 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 121210402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).