4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one

C11H10BrN3O2 — CID 82094499

IUPAC4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(N)nc(=O)[nH]2)cc1Br
InChIInChI=1S/C11H10BrN3O2/c1-17-9-3-2-6(4-7(9)12)8-5-10(13)15-11(16)14-8/h2-5H,1H3,(H3,13,14,15,16)
InChIKeyIWWGEKDWZFOQFI-UHFFFAOYSA-N
MW296.12 g/mol
LogP1.79
Rot. Bonds2

About 4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one

4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one (PubChem CID 82094499) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one
PubChem CID82094499
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(N)nc(=O)[nH]2)cc1Br
InChIInChI=1S/C11H10BrN3O2/c1-17-9-3-2-6(4-7(9)12)8-5-10(13)15-11(16)14-8/h2-5H,1H3,(H3,13,14,15,16)
InChIKeyIWWGEKDWZFOQFI-UHFFFAOYSA-N
XLogP1.79
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347
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CID 82050099
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562
4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione
CID 82087611
4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione
CID 82308460
4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 116821473
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine
CID 112559163
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110534918
4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
CID 57313510
2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63611790

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one (CID 82094499) is 4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one is COc1ccc(-c2cc(N)nc(=O)[nH]2)cc1Br.
What is the InChIKey of 4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one?
The InChIKey is IWWGEKDWZFOQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-17-9-3-2-6(4-7(9)12)8-5-10(13)15-11(16)14-8/h2-5H,1H3,(H3,13,14,15,16).
What are the key properties of 4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one?
4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one has a molecular weight of 296.12 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 82094499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).