3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole

C15H17N3 — CID 154002561

IUPAC3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole
SMILESCc1ncc(-c2ccc3c(c2)NCC3(C)C)cn1
InChIInChI=1S/C15H17N3/c1-10-16-7-12(8-17-10)11-4-5-13-14(6-11)18-9-15(13,2)3/h4-8,18H,9H2,1-3H3
InChIKeySBZPMGVWNQHDFR-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.16
Rot. Bonds1

About 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole

3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole (PubChem CID 154002561) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole.

Molecular Properties

Compound Name3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole
PubChem CID154002561
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole
SMILESCc1ncc(-c2ccc3c(c2)NCC3(C)C)cn1
InChIInChI=1S/C15H17N3/c1-10-16-7-12(8-17-10)11-4-5-13-14(6-11)18-9-15(13,2)3/h4-8,18H,9H2,1-3H3
InChIKeySBZPMGVWNQHDFR-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole 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 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole?
The IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole (CID 154002561) is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole.
What is the SMILES notation for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole?
The canonical SMILES for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole is Cc1ncc(-c2ccc3c(c2)NCC3(C)C)cn1.
What is the InChIKey of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole?
The InChIKey is SBZPMGVWNQHDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-16-7-12(8-17-10)11-4-5-13-14(6-11)18-9-15(13,2)3/h4-8,18H,9H2,1-3H3.
What are the key properties of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole?
3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole has a molecular weight of 239.32 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole is sourced from PubChem (CID 154002561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).