6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione

C19H18BrN3O3 — CID 4588982

IUPAC6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Oc2ccccc2NCc2cccc(Br)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H18BrN3O3/c1-22-17(24)11-18(23(2)19(22)25)26-16-9-4-3-8-15(16)21-12-13-6-5-7-14(20)10-13/h3-11,21H,12H2,1-2H3
InChIKeyZPRGTTILSZCQEB-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.25
Rot. Bonds5

About 6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione

6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 4588982) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID4588982
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Oc2ccccc2NCc2cccc(Br)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H18BrN3O3/c1-22-17(24)11-18(23(2)19(22)25)26-16-9-4-3-8-15(16)21-12-13-6-5-7-14(20)10-13/h3-11,21H,12H2,1-2H3
InChIKeyZPRGTTILSZCQEB-UHFFFAOYSA-N
XLogP3.25
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione (CID 4588982) is 6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(Oc2ccccc2NCc2cccc(Br)c2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ZPRGTTILSZCQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-22-17(24)11-18(23(2)19(22)25)26-16-9-4-3-8-15(16)21-12-13-6-5-7-14(20)10-13/h3-11,21H,12H2,1-2H3.
What are the key properties of 6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione?
6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 416.28 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-bromophenyl)methylamino]phenoxy]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 4588982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).