3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one

C7H10BrN3O — CID 66308111

IUPAC3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one
SMILESCc1ncn(CCN)c(=O)c1Br
InChIInChI=1S/C7H10BrN3O/c1-5-6(8)7(12)11(3-2-9)4-10-5/h4H,2-3,9H2,1H3
InChIKeyHTZBWEFYWWUTRI-UHFFFAOYSA-N
MW232.08 g/mol
LogP0.27
Rot. Bonds2

About 3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one

3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one (PubChem CID 66308111) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one
PubChem CID66308111
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one
SMILESCc1ncn(CCN)c(=O)c1Br
InChIInChI=1S/C7H10BrN3O/c1-5-6(8)7(12)11(3-2-9)4-10-5/h4H,2-3,9H2,1H3
InChIKeyHTZBWEFYWWUTRI-UHFFFAOYSA-N
XLogP0.27
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one?
The IUPAC name of 3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one (CID 66308111) is 3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one is Cc1ncn(CCN)c(=O)c1Br.
What is the InChIKey of 3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one?
The InChIKey is HTZBWEFYWWUTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-5-6(8)7(12)11(3-2-9)4-10-5/h4H,2-3,9H2,1H3.
What are the key properties of 3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one?
3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one has a molecular weight of 232.08 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-bromo-6-methylpyrimidin-4-one is sourced from PubChem (CID 66308111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).