3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide

C8H10BrN3O2 — CID 66308300

IUPAC3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cncc(Br)c1=O
InChIInChI=1S/C8H10BrN3O2/c1-10-7(13)2-3-12-5-11-4-6(9)8(12)14/h4-5H,2-3H2,1H3,(H,10,13)
InChIKeyPHCFGBUZMMQIQV-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.14
Rot. Bonds3

About 3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide

3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide (PubChem CID 66308300) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide
PubChem CID66308300
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cncc(Br)c1=O
InChIInChI=1S/C8H10BrN3O2/c1-10-7(13)2-3-12-5-11-4-6(9)8(12)14/h4-5H,2-3H2,1H3,(H,10,13)
InChIKeyPHCFGBUZMMQIQV-UHFFFAOYSA-N
XLogP0.14
TPSA63.99 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 ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide (CID 66308300) is 3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide is CNC(=O)CCn1cncc(Br)c1=O.
What is the InChIKey of 3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The InChIKey is PHCFGBUZMMQIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-10-7(13)2-3-12-5-11-4-6(9)8(12)14/h4-5H,2-3H2,1H3,(H,10,13).
What are the key properties of 3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide?
3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide has a molecular weight of 260.09 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-6-oxopyrimidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 66308300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).