5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione

C12H11FN2O2 — CID 83952471

IUPAC5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Cc1cccc(F)c1
InChIInChI=1S/C12H11FN2O2/c1-7-10(11(16)15-12(17)14-7)6-8-3-2-4-9(13)5-8/h2-5H,6H2,1H3,(H2,14,15,16,17)
InChIKeyLFDYSRFSUVZIAC-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.10
Rot. Bonds2

About 5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 83952471) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID83952471
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Cc1cccc(F)c1
InChIInChI=1S/C12H11FN2O2/c1-7-10(11(16)15-12(17)14-7)6-8-3-2-4-9(13)5-8/h2-5H,6H2,1H3,(H2,14,15,16,17)
InChIKeyLFDYSRFSUVZIAC-UHFFFAOYSA-N
XLogP1.10
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 83950321
6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 83956057
5-ethyl-2-[(3-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 63613280
5-[(3-hydroxyphenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 83956134
5-[(3-chlorophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 66490650
5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 83953060
2-[(3-fluorophenyl)methyl]-3-methylnaphthalene-1,4-dione
CID 164945507
6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 67492155
5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 91380281
5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyrazol-3-one
CID 141273226
2-[(3-fluorophenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62251169
2-(4-fluorophenyl)-6-methyl-5-[(3-methylphenyl)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 17067629

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 83952471) is 5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1Cc1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is LFDYSRFSUVZIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7-10(11(16)15-12(17)14-7)6-8-3-2-4-9(13)5-8/h2-5H,6H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 234.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83952471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).