4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one

C11H8F2N2O3 — CID 103241335

IUPAC4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(Oc2ccc(F)c(F)c2)nc[nH]c1=O
InChIInChI=1S/C11H8F2N2O3/c1-17-9-10(16)14-5-15-11(9)18-6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,14,15,16)
InChIKeyNTRAQPZCGHQTLR-UHFFFAOYSA-N
MW254.19 g/mol
LogP1.85
Rot. Bonds3

About 4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one

4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 103241335) has the molecular formula C11H8F2N2O3 and a molecular weight of 254.19 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one
PubChem CID103241335
Molecular FormulaC11H8F2N2O3
Molecular Weight254.19 g/mol
Exact Mass254.05
IUPAC Name4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(Oc2ccc(F)c(F)c2)nc[nH]c1=O
InChIInChI=1S/C11H8F2N2O3/c1-17-9-10(16)14-5-15-11(9)18-6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,14,15,16)
InChIKeyNTRAQPZCGHQTLR-UHFFFAOYSA-N
XLogP1.85
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-4-phenoxy-1H-pyrimidin-6-one
CID 103241155
5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241247
5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
CID 114580986
5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 103240978
4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 102702936
4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one
CID 107667208
5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107170148
5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107171900
4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114574355
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)oxy]-4-methylbenzoic acid
CID 114585672
4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692382
4-[4-(aminomethyl)-2-chlorophenoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114585951

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one (CID 103241335) is 4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one is COc1c(Oc2ccc(F)c(F)c2)nc[nH]c1=O.
What is the InChIKey of 4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is NTRAQPZCGHQTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O3/c1-17-9-10(16)14-5-15-11(9)18-6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,14,15,16).
What are the key properties of 4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one?
4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 254.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).