2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide

C8H10BrN3O2 — CID 4658979

IUPAC2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide
SMILESCOc1cnc(NC(=O)C(C)Br)nc1
InChIInChI=1S/C8H10BrN3O2/c1-5(9)7(13)12-8-10-3-6(14-2)4-11-8/h3-5H,1-2H3,(H,10,11,12,13)
InChIKeyVXECQQRVDVVJAE-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.21
Rot. Bonds3

About 2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide

2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide (PubChem CID 4658979) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide
PubChem CID4658979
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide
SMILESCOc1cnc(NC(=O)C(C)Br)nc1
InChIInChI=1S/C8H10BrN3O2/c1-5(9)7(13)12-8-10-3-6(14-2)4-11-8/h3-5H,1-2H3,(H,10,11,12,13)
InChIKeyVXECQQRVDVVJAE-UHFFFAOYSA-N
XLogP1.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-N-(5-methoxypyrimidin-2-yl)propanamide?
The IUPAC name of 2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide (CID 4658979) is 2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide.
What is the SMILES notation for 2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide?
The canonical SMILES for 2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide is COc1cnc(NC(=O)C(C)Br)nc1.
What is the InChIKey of 2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide?
The InChIKey is VXECQQRVDVVJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-5(9)7(13)12-8-10-3-6(14-2)4-11-8/h3-5H,1-2H3,(H,10,11,12,13).
What are the key properties of 2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide?
2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide has a molecular weight of 260.09 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide is sourced from PubChem (CID 4658979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).