2-bromo-N-pyrimidin-5-ylacetamide

C6H6BrN3O — CID 107588365

IUPAC2-bromo-N-pyrimidin-5-ylacetamide
SMILESO=C(CBr)Nc1cncnc1
InChIInChI=1S/C6H6BrN3O/c7-1-6(11)10-5-2-8-4-9-3-5/h2-4H,1H2,(H,10,11)
InChIKeyIRCHFQKBWFFHQJ-UHFFFAOYSA-N
MW216.04 g/mol
LogP0.81
Rot. Bonds2

About 2-bromo-N-pyrimidin-5-ylacetamide

2-bromo-N-pyrimidin-5-ylacetamide (PubChem CID 107588365) has the molecular formula C6H6BrN3O and a molecular weight of 216.04 g/mol. Its IUPAC name is 2-bromo-N-pyrimidin-5-ylacetamide.

Molecular Properties

Compound Name2-bromo-N-pyrimidin-5-ylacetamide
PubChem CID107588365
Molecular FormulaC6H6BrN3O
Molecular Weight216.04 g/mol
Exact Mass214.97
IUPAC Name2-bromo-N-pyrimidin-5-ylacetamide
SMILESO=C(CBr)Nc1cncnc1
InChIInChI=1S/C6H6BrN3O/c7-1-6(11)10-5-2-8-4-9-3-5/h2-4H,1H2,(H,10,11)
InChIKeyIRCHFQKBWFFHQJ-UHFFFAOYSA-N
XLogP0.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-pyrimidin-5-ylbutanamide
CID 130219529
N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107590325
2-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]sulfanylacetic acid
CID 107587552
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
2-(1-aminocyclopentyl)-N-pyrimidin-5-ylacetamide
CID 107588451
2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide
CID 107588375
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 107587535
[4-[(2-bromoacetyl)amino]phenyl]carbamic acid
CID 18543497
2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide
CID 112524122
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 107587527
2-methyl-4-oxo-2-propan-2-yl-4-(pyrimidin-5-ylamino)butanoic acid
CID 107587532
2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide
CID 146415877

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pyrimidin-5-ylacetamide?
The IUPAC name of 2-bromo-N-pyrimidin-5-ylacetamide (CID 107588365) is 2-bromo-N-pyrimidin-5-ylacetamide.
What is the SMILES notation for 2-bromo-N-pyrimidin-5-ylacetamide?
The canonical SMILES for 2-bromo-N-pyrimidin-5-ylacetamide is O=C(CBr)Nc1cncnc1.
What is the InChIKey of 2-bromo-N-pyrimidin-5-ylacetamide?
The InChIKey is IRCHFQKBWFFHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O/c7-1-6(11)10-5-2-8-4-9-3-5/h2-4H,1H2,(H,10,11).
What are the key properties of 2-bromo-N-pyrimidin-5-ylacetamide?
2-bromo-N-pyrimidin-5-ylacetamide has a molecular weight of 216.04 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pyrimidin-5-ylacetamide is sourced from PubChem (CID 107588365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).