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

C13H11N3O — CID 116900687

IUPAC6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
SMILESCc1[nH]c2ccccc2c1-c1ccnc(=O)[nH]1
InChIInChI=1S/C13H11N3O/c1-8-12(11-6-7-14-13(17)16-11)9-4-2-3-5-10(9)15-8/h2-7,15H,1H3,(H,14,16,17)
InChIKeyBEHUWUVNTOFBAI-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.23
Rot. Bonds1

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

6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one (PubChem CID 116900687) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
PubChem CID116900687
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
SMILESCc1[nH]c2ccccc2c1-c1ccnc(=O)[nH]1
InChIInChI=1S/C13H11N3O/c1-8-12(11-6-7-14-13(17)16-11)9-4-2-3-5-10(9)15-8/h2-7,15H,1H3,(H,14,16,17)
InChIKeyBEHUWUVNTOFBAI-UHFFFAOYSA-N
XLogP2.23
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one (CID 116900687) is 6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one is Cc1[nH]c2ccccc2c1-c1ccnc(=O)[nH]1.
What is the InChIKey of 6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one?
The InChIKey is BEHUWUVNTOFBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-12(11-6-7-14-13(17)16-11)9-4-2-3-5-10(9)15-8/h2-7,15H,1H3,(H,14,16,17).
What are the key properties of 6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one?
6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one has a molecular weight of 225.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 116900687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).