5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one

C11H8Br2FN3O — CID 136974694

IUPAC5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCc2cc(Br)ccc2F)c1Br
InChIInChI=1S/C11H8Br2FN3O/c12-7-1-2-8(14)6(3-7)4-15-10-9(13)11(18)17-5-16-10/h1-3,5H,4H2,(H2,15,16,17,18)
InChIKeyWDEGOTJYHQMDAU-UHFFFAOYSA-N
MW377.01 g/mol
LogP3.05
Rot. Bonds3

About 5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one

5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136974694) has the molecular formula C11H8Br2FN3O and a molecular weight of 377.01 g/mol. Its IUPAC name is 5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136974694
Molecular FormulaC11H8Br2FN3O
Molecular Weight377.01 g/mol
Exact Mass374.90
IUPAC Name5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCc2cc(Br)ccc2F)c1Br
InChIInChI=1S/C11H8Br2FN3O/c12-7-1-2-8(14)6(3-7)4-15-10-9(13)11(18)17-5-16-10/h1-3,5H,4H2,(H2,15,16,17,18)
InChIKeyWDEGOTJYHQMDAU-UHFFFAOYSA-N
XLogP3.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.01
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 104507858
4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-bromo-1H-pyrimidin-6-one
CID 136989444
4-(4-aminobutylamino)-5-bromo-1H-pyrimidin-6-one
CID 136973374
N-[(5-bromo-2-fluorophenyl)methyl]-2-nitropyridin-3-amine
CID 115586003
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine
CID 106194274
N-[(5-bromo-2-fluorophenyl)methyl]furo[3,2-c]pyridin-4-amine
CID 103702617
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
4-[(3-amino-4-methoxyphenyl)methylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979406
N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 106194284
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385485

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one (CID 136974694) is 5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one is O=c1[nH]cnc(NCc2cc(Br)ccc2F)c1Br.
What is the InChIKey of 5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is WDEGOTJYHQMDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2FN3O/c12-7-1-2-8(14)6(3-7)4-15-10-9(13)11(18)17-5-16-10/h1-3,5H,4H2,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 377.01 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).