1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one

C15H15N3OS — CID 4819309

IUPAC1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one
SMILESCC(Sc1ncccn1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H15N3OS/c1-11(20-15-16-8-4-9-17-15)14(19)18-10-7-12-5-2-3-6-13(12)18/h2-6,8-9,11H,7,10H2,1H3
InChIKeyHPQJHXBMURGADP-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.55
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one

1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one (PubChem CID 4819309) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one
PubChem CID4819309
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one
SMILESCC(Sc1ncccn1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H15N3OS/c1-11(20-15-16-8-4-9-17-15)14(19)18-10-7-12-5-2-3-6-13(12)18/h2-6,8-9,11H,7,10H2,1H3
InChIKeyHPQJHXBMURGADP-UHFFFAOYSA-N
XLogP2.55
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one (CID 4819309) is 1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one is CC(Sc1ncccn1)C(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one?
The InChIKey is HPQJHXBMURGADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11(20-15-16-8-4-9-17-15)14(19)18-10-7-12-5-2-3-6-13(12)18/h2-6,8-9,11H,7,10H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one?
1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one has a molecular weight of 285.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one is sourced from PubChem (CID 4819309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).