5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

C12H11FN2O3 — CID 3069741

IUPAC5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H11FN2O3/c1-18-9-4-2-8(3-5-9)6-15-7-10(13)11(16)14-12(15)17/h2-5,7H,6H2,1H3,(H,14,16,17)
InChIKeyIWTFDHOAOPEINT-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.73
Rot. Bonds3

About 5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 3069741) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID3069741
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H11FN2O3/c1-18-9-4-2-8(3-5-9)6-15-7-10(13)11(16)14-12(15)17/h2-5,7H,6H2,1H3,(H,14,16,17)
InChIKeyIWTFDHOAOPEINT-UHFFFAOYSA-N
XLogP0.73
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-fluoropyrimidine-2,4-dione;silver
CID 88760858
1-[(3-bromo-4-methoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
CID 3050978
1-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 63810817
5-(2-bromoethynyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 58333129
1-[(2-chloro-4-pyridinyl)methyl]-5-fluoropyrimidine-2,4-dione
CID 55219093
5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 66330527
1-[(3-amino-4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione
CID 115557364
5-fluoro-1-[(3-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 91623257
5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 66425761
5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione
CID 66330934
1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione
CID 63558194
4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117209092

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (CID 3069741) is 5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is COc1ccc(Cn2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is IWTFDHOAOPEINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-18-9-4-2-8(3-5-9)6-15-7-10(13)11(16)14-12(15)17/h2-5,7H,6H2,1H3,(H,14,16,17).
What are the key properties of 5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 250.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 3069741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).