3-fluoro-1-phenylmethoxypyrimidine-2,4-dione

C11H9FN2O3 — CID 54119422

IUPAC3-fluoro-1-phenylmethoxypyrimidine-2,4-dione
SMILESO=c1ccn(OCc2ccccc2)c(=O)n1F
InChIInChI=1S/C11H9FN2O3/c12-14-10(15)6-7-13(11(14)16)17-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyNMPFBGCWRBFDGL-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.37
Rot. Bonds3

About 3-fluoro-1-phenylmethoxypyrimidine-2,4-dione

3-fluoro-1-phenylmethoxypyrimidine-2,4-dione (PubChem CID 54119422) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-fluoro-1-phenylmethoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name3-fluoro-1-phenylmethoxypyrimidine-2,4-dione
PubChem CID54119422
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name3-fluoro-1-phenylmethoxypyrimidine-2,4-dione
SMILESO=c1ccn(OCc2ccccc2)c(=O)n1F
InChIInChI=1S/C11H9FN2O3/c12-14-10(15)6-7-13(11(14)16)17-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyNMPFBGCWRBFDGL-UHFFFAOYSA-N
XLogP0.37
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-1-phenylmethoxypyrimidine-2,4-dione 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

1-phenylmethoxypyrazin-2-one
CID 685465
1-phenyl-3-phenylmethoxypyrimidine-2,4-dione
CID 54281006
2-iodo-1-phenylmethoxyimidazole
CID 5325030
1-phenylmethoxyindole-5,6-diol
CID 69255647
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
3-phenylmethoxyimidazole-4-carbaldehyde
CID 11084886
[[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium
CID 132837853
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium
CID 20806995
N-(4-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382871
(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
CID 10104396

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-phenylmethoxypyrimidine-2,4-dione?
The IUPAC name of 3-fluoro-1-phenylmethoxypyrimidine-2,4-dione (CID 54119422) is 3-fluoro-1-phenylmethoxypyrimidine-2,4-dione.
What is the SMILES notation for 3-fluoro-1-phenylmethoxypyrimidine-2,4-dione?
The canonical SMILES for 3-fluoro-1-phenylmethoxypyrimidine-2,4-dione is O=c1ccn(OCc2ccccc2)c(=O)n1F.
What is the InChIKey of 3-fluoro-1-phenylmethoxypyrimidine-2,4-dione?
The InChIKey is NMPFBGCWRBFDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-14-10(15)6-7-13(11(14)16)17-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 3-fluoro-1-phenylmethoxypyrimidine-2,4-dione?
3-fluoro-1-phenylmethoxypyrimidine-2,4-dione has a molecular weight of 236.20 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-phenylmethoxypyrimidine-2,4-dione is sourced from PubChem (CID 54119422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).