1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione

C11H5F5N2O2 — CID 101052894

IUPAC1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione
SMILESCn1cc(-c2c(F)c(F)c(F)c(F)c2F)c(=O)[nH]c1=O
InChIInChI=1S/C11H5F5N2O2/c1-18-2-3(10(19)17-11(18)20)4-5(12)7(14)9(16)8(15)6(4)13/h2H,1H3,(H,17,19,20)
InChIKeyRUZVBCLFZHJBCA-UHFFFAOYSA-N
MW292.16 g/mol
LogP1.44
Rot. Bonds1

About 1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione

1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione (PubChem CID 101052894) has the molecular formula C11H5F5N2O2 and a molecular weight of 292.16 g/mol. Its IUPAC name is 1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione
PubChem CID101052894
Molecular FormulaC11H5F5N2O2
Molecular Weight292.16 g/mol
Exact Mass292.03
IUPAC Name1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione
SMILESCn1cc(-c2c(F)c(F)c(F)c(F)c2F)c(=O)[nH]c1=O
InChIInChI=1S/C11H5F5N2O2/c1-18-2-3(10(19)17-11(18)20)4-5(12)7(14)9(16)8(15)6(4)13/h2H,1H3,(H,17,19,20)
InChIKeyRUZVBCLFZHJBCA-UHFFFAOYSA-N
XLogP1.44
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-sulfanylpyrimidine-2,4-dione
CID 23516176
1-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-2,4-dione
CID 121209366
1-methyl-5-(methylamino)pyrimidine-2,4-dione
CID 67427145
5-(disulfanyl)-1-methylpyrimidine-2,4-dione
CID 123666794
1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione
CID 118005393
3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133091371
methyl 6-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-carboxylate
CID 133091429
5-[(E)-but-1-enyl]-1-methylpyrimidine-2,4-dione
CID 20617625
3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-enenitrile
CID 91129786
5-fluoro-1-methylpyrimidine-2,4-dione;methanol;oxolan-3-ol
CID 163233171
5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione
CID 143870304
5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione
CID 67951230

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione (CID 101052894) is 1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione is Cn1cc(-c2c(F)c(F)c(F)c(F)c2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione?
The InChIKey is RUZVBCLFZHJBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F5N2O2/c1-18-2-3(10(19)17-11(18)20)4-5(12)7(14)9(16)8(15)6(4)13/h2H,1H3,(H,17,19,20).
What are the key properties of 1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione?
1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione has a molecular weight of 292.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 101052894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).