5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione

C11H7BrF2N2O2 — CID 63777458

IUPAC5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(F)cc2F)cc1Br
InChIInChI=1S/C11H7BrF2N2O2/c12-8-5-16(11(18)15-10(8)17)4-6-1-2-7(13)3-9(6)14/h1-3,5H,4H2,(H,15,17,18)
InChIKeyNAYWKGXJHUWCKQ-UHFFFAOYSA-N
MW317.09 g/mol
LogP1.63
Rot. Bonds2

About 5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione

5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 63777458) has the molecular formula C11H7BrF2N2O2 and a molecular weight of 317.09 g/mol. Its IUPAC name is 5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID63777458
Molecular FormulaC11H7BrF2N2O2
Molecular Weight317.09 g/mol
Exact Mass315.97
IUPAC Name5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(F)cc2F)cc1Br
InChIInChI=1S/C11H7BrF2N2O2/c12-8-5-16(11(18)15-10(8)17)4-6-1-2-7(13)3-9(6)14/h1-3,5H,4H2,(H,15,17,18)
InChIKeyNAYWKGXJHUWCKQ-UHFFFAOYSA-N
XLogP1.63
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.09
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-[(2,5-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 65321201
1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63557584
1-[(4-amino-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329706
4-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-2-fluorobenzoic acid
CID 106698855
5-bromo-1-[(2-chloro-4-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 63779276
4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione
CID 121199579
methyl 3-bromo-4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]benzoate
CID 102766211
5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 55237113
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 102620271
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329734
3-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63778341
5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione
CID 79231970

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione (CID 63777458) is 5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(F)cc2F)cc1Br.
What is the InChIKey of 5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is NAYWKGXJHUWCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O2/c12-8-5-16(11(18)15-10(8)17)4-6-1-2-7(13)3-9(6)14/h1-3,5H,4H2,(H,15,17,18).
What are the key properties of 5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione?
5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 317.09 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63777458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).