5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole

C15H15N3 — CID 56720516

IUPAC5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole
SMILESCCc1nc(C)cc(-c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C15H15N3/c1-3-15-17-10(2)8-14(18-15)11-4-5-13-12(9-11)6-7-16-13/h4-9,16H,3H2,1-2H3
InChIKeyNYRIGJBRFRPGHB-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.50
Rot. Bonds2

About 5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole

5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole (PubChem CID 56720516) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole
PubChem CID56720516
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole
SMILESCCc1nc(C)cc(-c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C15H15N3/c1-3-15-17-10(2)8-14(18-15)11-4-5-13-12(9-11)6-7-16-13/h4-9,16H,3H2,1-2H3
InChIKeyNYRIGJBRFRPGHB-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole 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-ethyl-6-methylpyrimidin-4-yl)-1H-indole?
The IUPAC name of 5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole (CID 56720516) is 5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole.
What is the SMILES notation for 5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole?
The canonical SMILES for 5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole is CCc1nc(C)cc(-c2ccc3[nH]ccc3c2)n1.
What is the InChIKey of 5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole?
The InChIKey is NYRIGJBRFRPGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-3-15-17-10(2)8-14(18-15)11-4-5-13-12(9-11)6-7-16-13/h4-9,16H,3H2,1-2H3.
What are the key properties of 5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole?
5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole has a molecular weight of 237.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole is sourced from PubChem (CID 56720516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).