6-(1H-indol-3-yl)-1H-pyrimidin-2-one

C12H9N3O — CID 116900685

IUPAC6-(1H-indol-3-yl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2c[nH]c3ccccc23)[nH]1
InChIInChI=1S/C12H9N3O/c16-12-13-6-5-11(15-12)9-7-14-10-4-2-1-3-8(9)10/h1-7,14H,(H,13,15,16)
InChIKeyFXEDOKIWJJGLNZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.92
Rot. Bonds1

About 6-(1H-indol-3-yl)-1H-pyrimidin-2-one

6-(1H-indol-3-yl)-1H-pyrimidin-2-one (PubChem CID 116900685) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(1H-indol-3-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1H-indol-3-yl)-1H-pyrimidin-2-one
PubChem CID116900685
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name6-(1H-indol-3-yl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2c[nH]c3ccccc23)[nH]1
InChIInChI=1S/C12H9N3O/c16-12-13-6-5-11(15-12)9-7-14-10-4-2-1-3-8(9)10/h1-7,14H,(H,13,15,16)
InChIKeyFXEDOKIWJJGLNZ-UHFFFAOYSA-N
XLogP1.92
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
CID 87286726
6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900687
4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione
CID 116879571
3-pyridin-4-yl-1H-indole
CID 159430533
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]propanoic acid
CID 116878761
4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one
CID 135780355
4-(1H-indol-3-yl)-2H-phthalazin-1-one
CID 135533216
3-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butanoic acid
CID 116878808
methane;3-phenyl-1H-indole
CID 167711687
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
CID 82481705

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-3-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(1H-indol-3-yl)-1H-pyrimidin-2-one (CID 116900685) is 6-(1H-indol-3-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1H-indol-3-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1H-indol-3-yl)-1H-pyrimidin-2-one is O=c1nccc(-c2c[nH]c3ccccc23)[nH]1.
What is the InChIKey of 6-(1H-indol-3-yl)-1H-pyrimidin-2-one?
The InChIKey is FXEDOKIWJJGLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-13-6-5-11(15-12)9-7-14-10-4-2-1-3-8(9)10/h1-7,14H,(H,13,15,16).
What are the key properties of 6-(1H-indol-3-yl)-1H-pyrimidin-2-one?
6-(1H-indol-3-yl)-1H-pyrimidin-2-one has a molecular weight of 211.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-3-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 116900685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).