2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one

C10H14F3N3O2 — CID 79374899

IUPAC2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCNCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-7-5-8(17)16(9(15-7)18-2)4-3-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyVWPUJIMYQSUOOS-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.71
Rot. Bonds5

About 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one

2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one (PubChem CID 79374899) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one
PubChem CID79374899
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCNCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-7-5-8(17)16(9(15-7)18-2)4-3-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyVWPUJIMYQSUOOS-UHFFFAOYSA-N
XLogP0.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one (CID 79374899) is 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one is COc1nc(C)cc(=O)n1CCNCC(F)(F)F.
What is the InChIKey of 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one?
The InChIKey is VWPUJIMYQSUOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-7-5-8(17)16(9(15-7)18-2)4-3-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one has a molecular weight of 265.23 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 79374899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).