5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C16H17N3O2 — CID 135931973

IUPAC5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C16H17N3O2/c1-10-13(16(21)18-11(2)17-10)9-15(20)19-8-7-12-5-3-4-6-14(12)19/h3-6H,7-9H2,1-2H3,(H,17,18,21)
InChIKeyLQNYOTNABCPPKB-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.52
Rot. Bonds2

About 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135931973) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135931973
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C16H17N3O2/c1-10-13(16(21)18-11(2)17-10)9-15(20)19-8-7-12-5-3-4-6-14(12)19/h3-6H,7-9H2,1-2H3,(H,17,18,21)
InChIKeyLQNYOTNABCPPKB-UHFFFAOYSA-N
XLogP1.52
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-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 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 135931973) is 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(CC(=O)N2CCc3ccccc32)c(=O)[nH]1.
What is the InChIKey of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is LQNYOTNABCPPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-13(16(21)18-11(2)17-10)9-15(20)19-8-7-12-5-3-4-6-14(12)19/h3-6H,7-9H2,1-2H3,(H,17,18,21).
What are the key properties of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 283.33 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135931973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).