5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one

C10H16BrN3O — CID 66310095

IUPAC5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one
SMILESCCNCCCn1c(C)ncc(Br)c1=O
InChIInChI=1S/C10H16BrN3O/c1-3-12-5-4-6-14-8(2)13-7-9(11)10(14)15/h7,12H,3-6H2,1-2H3
InChIKeyDGWJPVSWDDMKKG-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.31
Rot. Bonds5

About 5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one

5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one (PubChem CID 66310095) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one
PubChem CID66310095
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one
SMILESCCNCCCn1c(C)ncc(Br)c1=O
InChIInChI=1S/C10H16BrN3O/c1-3-12-5-4-6-14-8(2)13-7-9(11)10(14)15/h7,12H,3-6H2,1-2H3
InChIKeyDGWJPVSWDDMKKG-UHFFFAOYSA-N
XLogP1.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one (CID 66310095) is 5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one is CCNCCCn1c(C)ncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one?
The InChIKey is DGWJPVSWDDMKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-12-5-4-6-14-8(2)13-7-9(11)10(14)15/h7,12H,3-6H2,1-2H3.
What are the key properties of 5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one?
5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one has a molecular weight of 274.16 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 66310095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).