4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one

C12H10F3N3O2 — CID 135415772

IUPAC4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C12H10F3N3O2/c1-20-6-8-4-10(19)18-11(17-8)9-3-2-7(5-16-9)12(13,14)15/h2-5H,6H2,1H3,(H,17,18,19)
InChIKeyLWHDDLYPZRJGCV-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.00
Rot. Bonds3

About 4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one

4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 135415772) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one
PubChem CID135415772
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C12H10F3N3O2/c1-20-6-8-4-10(19)18-11(17-8)9-3-2-7(5-16-9)12(13,14)15/h2-5H,6H2,1H3,(H,17,18,19)
InChIKeyLWHDDLYPZRJGCV-UHFFFAOYSA-N
XLogP2.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one (CID 135415772) is 4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is LWHDDLYPZRJGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-20-6-8-4-10(19)18-11(17-8)9-3-2-7(5-16-9)12(13,14)15/h2-5H,6H2,1H3,(H,17,18,19).
What are the key properties of 4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 285.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135415772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).