6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione

C16H20BrN3O3 — CID 135078141

IUPAC6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN(Cc1ccc(OC)cc1Br)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C16H20BrN3O3/c1-5-20(10-11-6-7-12(23-4)8-13(11)17)14-9-15(21)19(3)16(22)18(14)2/h6-9H,5,10H2,1-4H3
InChIKeySXLIYBJYLCTEJL-UHFFFAOYSA-N
MW382.26 g/mol
LogP1.88
Rot. Bonds5

About 6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione

6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 135078141) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is 6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID135078141
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC Name6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN(Cc1ccc(OC)cc1Br)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C16H20BrN3O3/c1-5-20(10-11-6-7-12(23-4)8-13(11)17)14-9-15(21)19(3)16(22)18(14)2/h6-9H,5,10H2,1-4H3
InChIKeySXLIYBJYLCTEJL-UHFFFAOYSA-N
XLogP1.88
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione (CID 135078141) is 6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione is CCN(Cc1ccc(OC)cc1Br)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SXLIYBJYLCTEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-5-20(10-11-6-7-12(23-4)8-13(11)17)14-9-15(21)19(3)16(22)18(14)2/h6-9H,5,10H2,1-4H3.
What are the key properties of 6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 382.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromo-4-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 135078141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).