5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one

C12H12BrN3O2 — CID 106486617

IUPAC5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one
SMILESCNCc1cccc(Oc2nc[nH]c(=O)c2Br)c1
InChIInChI=1S/C12H12BrN3O2/c1-14-6-8-3-2-4-9(5-8)18-12-10(13)11(17)15-7-16-12/h2-5,7,14H,6H2,1H3,(H,15,16,17)
InChIKeyHVOWVVLTGFHNEB-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.04
Rot. Bonds4

About 5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one

5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one (PubChem CID 106486617) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one
PubChem CID106486617
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one
SMILESCNCc1cccc(Oc2nc[nH]c(=O)c2Br)c1
InChIInChI=1S/C12H12BrN3O2/c1-14-6-8-3-2-4-9(5-8)18-12-10(13)11(17)15-7-16-12/h2-5,7,14H,6H2,1H3,(H,15,16,17)
InChIKeyHVOWVVLTGFHNEB-UHFFFAOYSA-N
XLogP2.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one
CID 114675867
5-bromo-4-(3-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676310
2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide
CID 106486329
N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine
CID 106486575
N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine
CID 106486385
1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62297750
1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 83234561
5-bromo-4-(3-phenylpropoxy)-1H-pyrimidin-6-one
CID 114676360
5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one
CID 132587943
N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine
CID 106486410
1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106486506
4-[(3-aminophenyl)methylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979440

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one (CID 106486617) is 5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one is CNCc1cccc(Oc2nc[nH]c(=O)c2Br)c1.
What is the InChIKey of 5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one?
The InChIKey is HVOWVVLTGFHNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-14-6-8-3-2-4-9(5-8)18-12-10(13)11(17)15-7-16-12/h2-5,7,14H,6H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one?
5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one has a molecular weight of 310.15 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 106486617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).