2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one

C11H8F2N2O2 — CID 170752087

IUPAC2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(COc2ccc(F)cc2F)[nH]1
InChIInChI=1S/C11H8F2N2O2/c12-7-1-2-9(8(13)5-7)17-6-10-14-4-3-11(16)15-10/h1-5H,6H2,(H,14,15,16)
InChIKeyVOKSWKIWCCBQCD-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.63
Rot. Bonds3

About 2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one

2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 170752087) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one
PubChem CID170752087
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(COc2ccc(F)cc2F)[nH]1
InChIInChI=1S/C11H8F2N2O2/c12-7-1-2-9(8(13)5-7)17-6-10-14-4-3-11(16)15-10/h1-5H,6H2,(H,14,15,16)
InChIKeyVOKSWKIWCCBQCD-UHFFFAOYSA-N
XLogP1.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyrimidinol, 6-methyl-2-(phenoxymethyl)-
CID 135403423
5-(4-fluorophenoxy)-1H-pyrimidin-6-one
CID 12661860
4-Pyrimidinol, 6-methyl-2-((2-methoxyphenoxy)methyl)-
CID 135746696
2-Isopropyl-6-phenoxymethyl-4-pyrimidinol
CID 135540645
5-[(4,4-Difluoropiperidin-1-yl)carbonyl]-2-(phenoxymethyl)pyrimidin-4-ol
CID 72882793
2-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136228110
3-Amino-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
CID 172438294
4-hydroxy-2-[(2-methoxyphenoxy)methyl]-1H-pyrimidin-6-one
CID 172438534
N-[2-(acetylamino)ethyl]-2-[(4-fluorophenoxy)methyl]-4-hydroxypyrimidine-5-carboxamide
CID 70716862
2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
CID 70743745
4-methyl-2-[2-[[(2S)-1-phenoxypropan-2-yl]amino]ethyl]-1H-pyrimidin-6-one
CID 136743328
1-[2-(2,4-Difluorophenoxy)ethyl]-3-(1-piperazinyl)-2(1H)-pyrazinone
CID 10065573

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one (CID 170752087) is 2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one is O=c1ccnc(COc2ccc(F)cc2F)[nH]1.
What is the InChIKey of 2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is VOKSWKIWCCBQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-7-1-2-9(8(13)5-7)17-6-10-14-4-3-11(16)15-10/h1-5H,6H2,(H,14,15,16).
What are the key properties of 2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one?
2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 238.19 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 170752087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).