2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide

C8H10BrN3O — CID 107588375

IUPAC2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide
SMILESCC(C)(Br)C(=O)Nc1cncnc1
InChIInChI=1S/C8H10BrN3O/c1-8(2,9)7(13)12-6-3-10-5-11-4-6/h3-5H,1-2H3,(H,12,13)
InChIKeyMUYVIPQBAFCDNQ-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.59
Rot. Bonds2

About 2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide

2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide (PubChem CID 107588375) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide
PubChem CID107588375
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide
SMILESCC(C)(Br)C(=O)Nc1cncnc1
InChIInChI=1S/C8H10BrN3O/c1-8(2,9)7(13)12-6-3-10-5-11-4-6/h3-5H,1-2H3,(H,12,13)
InChIKeyMUYVIPQBAFCDNQ-UHFFFAOYSA-N
XLogP1.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.59
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 2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide?
The IUPAC name of 2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide (CID 107588375) is 2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide?
The canonical SMILES for 2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide is CC(C)(Br)C(=O)Nc1cncnc1.
What is the InChIKey of 2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide?
The InChIKey is MUYVIPQBAFCDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c1-8(2,9)7(13)12-6-3-10-5-11-4-6/h3-5H,1-2H3,(H,12,13).
What are the key properties of 2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide?
2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide has a molecular weight of 244.09 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide is sourced from PubChem (CID 107588375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).