5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione

C12H11BrFN3O2 — CID 79709992

IUPAC5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(N)c(=O)n(Cc2cc(F)cc(Br)c2)c1=O
InChIInChI=1S/C12H11BrFN3O2/c1-16-6-10(15)11(18)17(12(16)19)5-7-2-8(13)4-9(14)3-7/h2-4,6H,5,15H2,1H3
InChIKeyLZHZVDNCLPIKEV-UHFFFAOYSA-N
MW328.14 g/mol
LogP1.08
Rot. Bonds2

About 5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione

5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione (PubChem CID 79709992) has the molecular formula C12H11BrFN3O2 and a molecular weight of 328.14 g/mol. Its IUPAC name is 5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
PubChem CID79709992
Molecular FormulaC12H11BrFN3O2
Molecular Weight328.14 g/mol
Exact Mass327.00
IUPAC Name5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(N)c(=O)n(Cc2cc(F)cc(Br)c2)c1=O
InChIInChI=1S/C12H11BrFN3O2/c1-16-6-10(15)11(18)17(12(16)19)5-7-2-8(13)4-9(14)3-7/h2-4,6H,5,15H2,1H3
InChIKeyLZHZVDNCLPIKEV-UHFFFAOYSA-N
XLogP1.08
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 63801141
5-amino-1-[(3-bromo-5-fluorophenyl)methyl]-4-methylpyridin-2-one
CID 79710365
5-amino-3-[(2-chloro-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 102616051
5-[(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-2-fluorobenzonitrile
CID 107880877
3-amino-1-[(3-bromo-5-fluorophenyl)methyl]pyridin-2-one
CID 79710063
5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 58122458
5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 65324092
5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
CID 104797220
3-[(3-bromo-5-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-one
CID 79702942
5-amino-1-methyl-3-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
CID 55240714
5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione
CID 107042848
5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 112650322

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione (CID 79709992) is 5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione is Cn1cc(N)c(=O)n(Cc2cc(F)cc(Br)c2)c1=O.
What is the InChIKey of 5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is LZHZVDNCLPIKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2/c1-16-6-10(15)11(18)17(12(16)19)5-7-2-8(13)4-9(14)3-7/h2-4,6H,5,15H2,1H3.
What are the key properties of 5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 328.14 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 79709992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).