2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

C14H13F3N2O2 — CID 136692538

IUPAC2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCCOCc1nc(-c2ccccc2C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C14H13F3N2O2/c1-2-21-8-12-18-11(7-13(20)19-12)9-5-3-4-6-10(9)14(15,16)17/h3-7H,2,8H2,1H3,(H,18,19,20)
InChIKeyNRUFSPVWEYBNET-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.99
Rot. Bonds4

About 2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 136692538) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
PubChem CID136692538
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCCOCc1nc(-c2ccccc2C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C14H13F3N2O2/c1-2-21-8-12-18-11(7-13(20)19-12)9-5-3-4-6-10(9)14(15,16)17/h3-7H,2,8H2,1H3,(H,18,19,20)
InChIKeyNRUFSPVWEYBNET-UHFFFAOYSA-N
XLogP2.99
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (CID 136692538) is 2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is CCOCc1nc(-c2ccccc2C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is NRUFSPVWEYBNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-2-21-8-12-18-11(7-13(20)19-12)9-5-3-4-6-10(9)14(15,16)17/h3-7H,2,8H2,1H3,(H,18,19,20).
What are the key properties of 2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 298.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136692538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).