3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide

C10H14BrN3O2 — CID 66310259

IUPAC3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1cnc(C)c(Br)c1=O
InChIInChI=1S/C10H14BrN3O2/c1-3-12-8(15)4-5-14-6-13-7(2)9(11)10(14)16/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyPJIWSUNCSULPBG-UHFFFAOYSA-N
MW288.15 g/mol
LogP0.84
Rot. Bonds4

About 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide

3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide (PubChem CID 66310259) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.15 g/mol. Its IUPAC name is 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
PubChem CID66310259
Molecular FormulaC10H14BrN3O2
Molecular Weight288.15 g/mol
Exact Mass287.03
IUPAC Name3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1cnc(C)c(Br)c1=O
InChIInChI=1S/C10H14BrN3O2/c1-3-12-8(15)4-5-14-6-13-7(2)9(11)10(14)16/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyPJIWSUNCSULPBG-UHFFFAOYSA-N
XLogP0.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide (CID 66310259) is 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide is CCNC(=O)CCn1cnc(C)c(Br)c1=O.
What is the InChIKey of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The InChIKey is PJIWSUNCSULPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-3-12-8(15)4-5-14-6-13-7(2)9(11)10(14)16/h6H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide has a molecular weight of 288.15 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 66310259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).