5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide

C9H11Br2N3O — CID 130565372

IUPAC5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide
SMILESCC(C)(CBr)NC(=O)c1ncncc1Br
InChIInChI=1S/C9H11Br2N3O/c1-9(2,4-10)14-8(15)7-6(11)3-12-5-13-7/h3,5H,4H2,1-2H3,(H,14,15)
InChIKeyDWNOWJQFOQUWIS-UHFFFAOYSA-N
MW337.02 g/mol
LogP2.14
Rot. Bonds3

About 5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide

5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide (PubChem CID 130565372) has the molecular formula C9H11Br2N3O and a molecular weight of 337.02 g/mol. Its IUPAC name is 5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide
PubChem CID130565372
Molecular FormulaC9H11Br2N3O
Molecular Weight337.02 g/mol
Exact Mass334.93
IUPAC Name5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide
SMILESCC(C)(CBr)NC(=O)c1ncncc1Br
InChIInChI=1S/C9H11Br2N3O/c1-9(2,4-10)14-8(15)7-6(11)3-12-5-13-7/h3,5H,4H2,1-2H3,(H,14,15)
InChIKeyDWNOWJQFOQUWIS-UHFFFAOYSA-N
XLogP2.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.02
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide (CID 130565372) is 5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide is CC(C)(CBr)NC(=O)c1ncncc1Br.
What is the InChIKey of 5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide?
The InChIKey is DWNOWJQFOQUWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N3O/c1-9(2,4-10)14-8(15)7-6(11)3-12-5-13-7/h3,5H,4H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide?
5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide has a molecular weight of 337.02 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 130565372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).