2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one

C11H10BrN3O2 — CID 135480627

IUPAC2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1nc(N)[nH]c(=O)c1Br
InChIInChI=1S/C11H10BrN3O2/c1-17-7-5-3-2-4-6(7)9-8(12)10(16)15-11(13)14-9/h2-5H,1H3,(H3,13,14,15,16)
InChIKeyMZYSYNKAXMNKDO-UHFFFAOYSA-N
MW296.12 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one

2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 135480627) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID135480627
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1nc(N)[nH]c(=O)c1Br
InChIInChI=1S/C11H10BrN3O2/c1-17-7-5-3-2-4-6(7)9-8(12)10(16)15-11(13)14-9/h2-5H,1H3,(H3,13,14,15,16)
InChIKeyMZYSYNKAXMNKDO-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

2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475427
5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136729643
2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135480668
6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 15764367
3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 135491345
4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136691872
4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136691870
5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one
CID 117107083
6-amino-2-(3,4-dimethoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,8,11,13,15-heptaene-4,17-dione
CID 135648642
5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 66300553
2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one
CID 135480673
4-bromo-5-methoxy-1H-benzimidazol-2-amine
CID 118526223

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one (CID 135480627) is 2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one is COc1ccccc1-c1nc(N)[nH]c(=O)c1Br.
What is the InChIKey of 2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is MZYSYNKAXMNKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-17-7-5-3-2-4-6(7)9-8(12)10(16)15-11(13)14-9/h2-5H,1H3,(H3,13,14,15,16).
What are the key properties of 2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one?
2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-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 2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135480627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).