3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione

C13H13FN2O2 — CID 105375307

IUPAC3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCc1ccc(F)cc1Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C13H13FN2O2/c1-9-3-4-11(14)7-10(9)8-16-12(17)5-6-15(2)13(16)18/h3-7H,8H2,1-2H3
InChIKeyYNZXDOBNJLRJJA-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.04
Rot. Bonds2

About 3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione

3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione (PubChem CID 105375307) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione
PubChem CID105375307
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCc1ccc(F)cc1Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C13H13FN2O2/c1-9-3-4-11(14)7-10(9)8-16-12(17)5-6-15(2)13(16)18/h3-7H,8H2,1-2H3
InChIKeyYNZXDOBNJLRJJA-UHFFFAOYSA-N
XLogP1.04
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 102974838
1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one
CID 105375362
1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
CID 105375364
2-fluoro-3-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]benzonitrile
CID 103912262
3-[(5-fluoro-2-methylphenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione
CID 105376220
3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 64770001
5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 107104320
3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione
CID 106933940
5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 105375384
1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione
CID 79241293
5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 63801141
1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol
CID 105374755

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione (CID 105375307) is 3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione is Cc1ccc(F)cc1Cn1c(=O)ccn(C)c1=O.
What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is YNZXDOBNJLRJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-9-3-4-11(14)7-10(9)8-16-12(17)5-6-15(2)13(16)18/h3-7H,8H2,1-2H3.
What are the key properties of 3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione?
3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 248.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 105375307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).