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

C13H11F3N2O2 — CID 136691964

IUPAC2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C13H11F3N2O2/c1-20-7-11-17-10(6-12(19)18-11)8-2-4-9(5-3-8)13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyHSYUWKMQVUVJDO-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.60
Rot. Bonds3

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

2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 136691964) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
PubChem CID136691964
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C13H11F3N2O2/c1-20-7-11-17-10(6-12(19)18-11)8-2-4-9(5-3-8)13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyHSYUWKMQVUVJDO-UHFFFAOYSA-N
XLogP2.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691960
4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136769988
2-(methoxymethyl)-4-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one
CID 136692234
4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136741173
4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 139891889
2-(methoxymethyl)-4-quinolin-7-yl-1H-pyrimidin-6-one
CID 136769647
4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136955655
4-[(3R)-3-cyclopropyl-3-[4-(trifluoromethyl)phenyl]propanoyl]-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 161330431
2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one
CID 136692419
2-ethyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136823700
2-(chloromethyl)-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 137119592
2-(chloromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 137119593

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (CID 136691964) is 2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is COCc1nc(-c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is HSYUWKMQVUVJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-20-7-11-17-10(6-12(19)18-11)8-2-4-9(5-3-8)13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19).
What are the key properties of 2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 284.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136691964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).