5-bromo-6-oxo-1H-pyrimidine-2-carboxamide

C5H4BrN3O2 — CID 118598838

IUPAC5-bromo-6-oxo-1H-pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C5H4BrN3O2/c6-2-1-8-4(3(7)10)9-5(2)11/h1H,(H2,7,10)(H,8,9,11)
InChIKeyAYBILDNHDXWADU-UHFFFAOYSA-N
MW218.01 g/mol
LogP-0.37
Rot. Bonds1

About 5-bromo-6-oxo-1H-pyrimidine-2-carboxamide

5-bromo-6-oxo-1H-pyrimidine-2-carboxamide (PubChem CID 118598838) has the molecular formula C5H4BrN3O2 and a molecular weight of 218.01 g/mol. Its IUPAC name is 5-bromo-6-oxo-1H-pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-6-oxo-1H-pyrimidine-2-carboxamide
PubChem CID118598838
Molecular FormulaC5H4BrN3O2
Molecular Weight218.01 g/mol
Exact Mass216.95
IUPAC Name5-bromo-6-oxo-1H-pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C5H4BrN3O2/c6-2-1-8-4(3(7)10)9-5(2)11/h1H,(H2,7,10)(H,8,9,11)
InChIKeyAYBILDNHDXWADU-UHFFFAOYSA-N
XLogP-0.37
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-oxo-1H-pyrimidine-2-carboxamide?
The IUPAC name of 5-bromo-6-oxo-1H-pyrimidine-2-carboxamide (CID 118598838) is 5-bromo-6-oxo-1H-pyrimidine-2-carboxamide.
What is the SMILES notation for 5-bromo-6-oxo-1H-pyrimidine-2-carboxamide?
The canonical SMILES for 5-bromo-6-oxo-1H-pyrimidine-2-carboxamide is NC(=O)c1ncc(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-6-oxo-1H-pyrimidine-2-carboxamide?
The InChIKey is AYBILDNHDXWADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN3O2/c6-2-1-8-4(3(7)10)9-5(2)11/h1H,(H2,7,10)(H,8,9,11).
What are the key properties of 5-bromo-6-oxo-1H-pyrimidine-2-carboxamide?
5-bromo-6-oxo-1H-pyrimidine-2-carboxamide has a molecular weight of 218.01 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-oxo-1H-pyrimidine-2-carboxamide is sourced from PubChem (CID 118598838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).