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

C15H18BrN3O3 — CID 135078139

IUPAC6-[(2-bromo-4-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc(CN(C)c2cc(=O)n(C)c(=O)n2C)c(Br)c1
InChIInChI=1S/C15H18BrN3O3/c1-17(9-10-5-6-11(22-4)7-12(10)16)13-8-14(20)19(3)15(21)18(13)2/h5-8H,9H2,1-4H3
InChIKeyZCLQEFPPFZIAJQ-UHFFFAOYSA-N
MW368.23 g/mol
LogP1.49
Rot. Bonds4

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

6-[(2-bromo-4-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 135078139) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is 6-[(2-bromo-4-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-bromo-4-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID135078139
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC Name6-[(2-bromo-4-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc(CN(C)c2cc(=O)n(C)c(=O)n2C)c(Br)c1
InChIInChI=1S/C15H18BrN3O3/c1-17(9-10-5-6-11(22-4)7-12(10)16)13-8-14(20)19(3)15(21)18(13)2/h5-8H,9H2,1-4H3
InChIKeyZCLQEFPPFZIAJQ-UHFFFAOYSA-N
XLogP1.49
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 51.49
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-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2-bromo-4-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione (CID 135078139) is 6-[(2-bromo-4-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-bromo-4-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-bromo-4-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione is COc1ccc(CN(C)c2cc(=O)n(C)c(=O)n2C)c(Br)c1.
What is the InChIKey of 6-[(2-bromo-4-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ZCLQEFPPFZIAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-17(9-10-5-6-11(22-4)7-12(10)16)13-8-14(20)19(3)15(21)18(13)2/h5-8H,9H2,1-4H3.
What are the key properties of 6-[(2-bromo-4-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2-bromo-4-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 368.23 g/mol, XLogP of 1.49, 4 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-methylamino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 135078139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).