1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione

C11H9BrFN3O2 — CID 63557584

IUPAC1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESNc1ccc(Cn2cc(F)c(=O)[nH]c2=O)c(Br)c1
InChIInChI=1S/C11H9BrFN3O2/c12-8-3-7(14)2-1-6(8)4-16-5-9(13)10(17)15-11(16)18/h1-3,5H,4,14H2,(H,15,17,18)
InChIKeyHMHPNUITDWBUMO-UHFFFAOYSA-N
MW314.11 g/mol
LogP1.07
Rot. Bonds2

About 1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione

1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 63557584) has the molecular formula C11H9BrFN3O2 and a molecular weight of 314.11 g/mol. Its IUPAC name is 1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID63557584
Molecular FormulaC11H9BrFN3O2
Molecular Weight314.11 g/mol
Exact Mass312.99
IUPAC Name1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESNc1ccc(Cn2cc(F)c(=O)[nH]c2=O)c(Br)c1
InChIInChI=1S/C11H9BrFN3O2/c12-8-3-7(14)2-1-6(8)4-16-5-9(13)10(17)15-11(16)18/h1-3,5H,4,14H2,(H,15,17,18)
InChIKeyHMHPNUITDWBUMO-UHFFFAOYSA-N
XLogP1.07
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-Bromo-4-methyl-phenylamino)-3-(4-methoxy-butyl)-1H-pyrimidine-2,4-dione
CID 11132716
Uracil, 1-(p-bromobenzyl)-5-fluoro-
CID 3069740
1-[(4-Aminophenyl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63554432
3-(3-bromo-2-methylphenyl)-1-(4-fluorophenyl)pyrimidine-2,4(1H,3H)-dione
CID 117761182
1-[(4-Bromo-3-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 176362710
3-[(4-aminophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 178073630
1-(4-Aminobenzyl)pyrimidine-2,4(1h,3h)-dione
CID 269602
1-{4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]phenyl}-3-(2-fluoroethyl)urea
CID 270234
N-(3-bromo-4-methylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7633549
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 24514741
N-(3-bromo-4-methylphenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 25603430
5-[(5-Bromo-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43555244

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione (CID 63557584) is 1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione is Nc1ccc(Cn2cc(F)c(=O)[nH]c2=O)c(Br)c1.
What is the InChIKey of 1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is HMHPNUITDWBUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2/c12-8-3-7(14)2-1-6(8)4-16-5-9(13)10(17)15-11(16)18/h1-3,5H,4,14H2,(H,15,17,18).
What are the key properties of 1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione?
1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 314.11 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 63557584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).