4-amino-6-bromo-1H-pyrimidin-2-one

C4H4BrN3O — CID 101367928

IUPAC4-amino-6-bromo-1H-pyrimidin-2-one
SMILESNc1cc(Br)[nH]c(=O)n1
InChIInChI=1S/C4H4BrN3O/c5-2-1-3(6)8-4(9)7-2/h1H,(H3,6,7,8,9)
InChIKeyPXMDFPSKHLUVHO-UHFFFAOYSA-N
MW190.00 g/mol
LogP0.11
Rot. Bonds

About 4-amino-6-bromo-1H-pyrimidin-2-one

4-amino-6-bromo-1H-pyrimidin-2-one (PubChem CID 101367928) has the molecular formula C4H4BrN3O and a molecular weight of 190.00 g/mol. Its IUPAC name is 4-amino-6-bromo-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-bromo-1H-pyrimidin-2-one
PubChem CID101367928
Molecular FormulaC4H4BrN3O
Molecular Weight190.00 g/mol
Exact Mass188.95
IUPAC Name4-amino-6-bromo-1H-pyrimidin-2-one
SMILESNc1cc(Br)[nH]c(=O)n1
InChIInChI=1S/C4H4BrN3O/c5-2-1-3(6)8-4(9)7-2/h1H,(H3,6,7,8,9)
InChIKeyPXMDFPSKHLUVHO-UHFFFAOYSA-N
XLogP0.11
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.00
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one
CID 45080379
4-amino-6-(2-aminoethyl)-1H-pyrimidin-2-one
CID 83851764
4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one
CID 82081550
4-amino-6-(1H-pyrrol-2-yl)-1H-pyrimidin-2-one
CID 175072034
4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one
CID 82094499
4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one
CID 83857359
4-amino-6-(2-fluorophenyl)-1H-pyrimidin-2-one
CID 82077032
4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one
CID 83857323
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857354
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid
CID 83857357
4-amino-2-chloro-1H-pyrimidin-6-one
CID 135947952
4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one
CID 83857342

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromo-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-6-bromo-1H-pyrimidin-2-one (CID 101367928) is 4-amino-6-bromo-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-bromo-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-6-bromo-1H-pyrimidin-2-one is Nc1cc(Br)[nH]c(=O)n1.
What is the InChIKey of 4-amino-6-bromo-1H-pyrimidin-2-one?
The InChIKey is PXMDFPSKHLUVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN3O/c5-2-1-3(6)8-4(9)7-2/h1H,(H3,6,7,8,9).
What are the key properties of 4-amino-6-bromo-1H-pyrimidin-2-one?
4-amino-6-bromo-1H-pyrimidin-2-one has a molecular weight of 190.00 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromo-1H-pyrimidin-2-one is sourced from PubChem (CID 101367928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).