6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one

C13H13N3O2 — CID 129160222

IUPAC6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one
SMILESCc1ncc(-c2ccc3n(c2=O)CCC3)c(=O)[nH]1
InChIInChI=1S/C13H13N3O2/c1-8-14-7-11(12(17)15-8)10-5-4-9-3-2-6-16(9)13(10)18/h4-5,7H,2-3,6H2,1H3,(H,14,15,17)
InChIKeyXKYJMQAMZIUDBW-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.85
Rot. Bonds1

About 6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one

6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one (PubChem CID 129160222) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one
PubChem CID129160222
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one
SMILESCc1ncc(-c2ccc3n(c2=O)CCC3)c(=O)[nH]1
InChIInChI=1S/C13H13N3O2/c1-8-14-7-11(12(17)15-8)10-5-4-9-3-2-6-16(9)13(10)18/h4-5,7H,2-3,6H2,1H3,(H,14,15,17)
InChIKeyXKYJMQAMZIUDBW-UHFFFAOYSA-N
XLogP0.85
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one (CID 129160222) is 6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one is Cc1ncc(-c2ccc3n(c2=O)CCC3)c(=O)[nH]1.
What is the InChIKey of 6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is XKYJMQAMZIUDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-14-7-11(12(17)15-8)10-5-4-9-3-2-6-16(9)13(10)18/h4-5,7H,2-3,6H2,1H3,(H,14,15,17).
What are the key properties of 6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one?
6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 243.27 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 129160222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).