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

C13H14BrN3O3 — CID 65324092

IUPAC5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCOc1ccc(Br)c(Cn2c(=O)c(N)cn(C)c2=O)c1
InChIInChI=1S/C13H14BrN3O3/c1-16-7-11(15)12(18)17(13(16)19)6-8-5-9(20-2)3-4-10(8)14/h3-5,7H,6,15H2,1-2H3
InChIKeyKHJWGSRTMHITMM-UHFFFAOYSA-N
MW340.18 g/mol
LogP0.95
Rot. Bonds3

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

5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione (PubChem CID 65324092) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is 5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione
PubChem CID65324092
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Name5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCOc1ccc(Br)c(Cn2c(=O)c(N)cn(C)c2=O)c1
InChIInChI=1S/C13H14BrN3O3/c1-16-7-11(15)12(18)17(13(16)19)6-8-5-9(20-2)3-4-10(8)14/h3-5,7H,6,15H2,1-2H3
InChIKeyKHJWGSRTMHITMM-UHFFFAOYSA-N
XLogP0.95
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 104505773
1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80582220
1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one
CID 65325926
1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180750
1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 65326183
3-[(2-bromo-5-methoxyphenyl)methyl]-6-chloro-2-methylpyrimidin-4-one
CID 114581792
3-[(2-bromo-5-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 65325780
1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyltriazol-4-amine
CID 79542535
[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 65326569
1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 65327229
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine
CID 66405437
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione (CID 65324092) is 5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione is COc1ccc(Br)c(Cn2c(=O)c(N)cn(C)c2=O)c1.
What is the InChIKey of 5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is KHJWGSRTMHITMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-16-7-11(15)12(18)17(13(16)19)6-8-5-9(20-2)3-4-10(8)14/h3-5,7H,6,15H2,1-2H3.
What are the key properties of 5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione?
5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 340.18 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 65324092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).