5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione

C12H11FN2O3 — CID 139330532

IUPAC5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)n1COCc1ccccc1
InChIInChI=1S/C12H11FN2O3/c13-10-6-14-12(17)15(11(10)16)8-18-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,17)
InChIKeyMZXIEKVYZOUKMB-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.85
Rot. Bonds4

About 5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione

5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 139330532) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID139330532
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)n1COCc1ccccc1
InChIInChI=1S/C12H11FN2O3/c13-10-6-14-12(17)15(11(10)16)8-18-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,17)
InChIKeyMZXIEKVYZOUKMB-UHFFFAOYSA-N
XLogP0.85
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
CID 139951410
5-fluoro-3-[(1S,2R,3R)-2-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-1H-pyrimidine-2,4-dione
CID 66739544
9-(phenylmethoxymethyl)carbazole
CID 2227531
6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 141308336
(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 20742944
5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 127047090
(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate
CID 15680052
6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 172877298
5-amino-3-benzyl-1H-pyrimidine-2,4-dione
CID 15659209
6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 142656493
6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid
CID 141371447
6-bromo-4-(phenylmethoxymethyl)-2-(1-phenylpropan-2-yl)-1,2,4-triazine-3,5-dione
CID 90036621

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione (CID 139330532) is 5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(F)c(=O)n1COCc1ccccc1.
What is the InChIKey of 5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is MZXIEKVYZOUKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-10-6-14-12(17)15(11(10)16)8-18-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,17).
What are the key properties of 5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione?
5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 250.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 139330532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).