6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C15H18BrN3O2 — CID 103579729

IUPAC6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cc(NCc2cc(=O)n(C)c(=O)n2C)cc(C)c1Br
InChIInChI=1S/C15H18BrN3O2/c1-9-5-11(6-10(2)14(9)16)17-8-12-7-13(20)19(4)15(21)18(12)3/h5-7,17H,8H2,1-4H3
InChIKeyRGYXQBWNLOPWSX-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.08
Rot. Bonds3

About 6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 103579729) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID103579729
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cc(NCc2cc(=O)n(C)c(=O)n2C)cc(C)c1Br
InChIInChI=1S/C15H18BrN3O2/c1-9-5-11(6-10(2)14(9)16)17-8-12-7-13(20)19(4)15(21)18(12)3/h5-7,17H,8H2,1-4H3
InChIKeyRGYXQBWNLOPWSX-UHFFFAOYSA-N
XLogP2.08
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 103579729) is 6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1cc(NCc2cc(=O)n(C)c(=O)n2C)cc(C)c1Br.
What is the InChIKey of 6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RGYXQBWNLOPWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-9-5-11(6-10(2)14(9)16)17-8-12-7-13(20)19(4)15(21)18(12)3/h5-7,17H,8H2,1-4H3.
What are the key properties of 6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 352.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 103579729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).