9-ethyl-4-methylpyrimido[4,5-b]indole

C13H13N3 — CID 130355431

IUPAC9-ethyl-4-methylpyrimido[4,5-b]indole
SMILESCCn1c2ccccc2c2c(C)ncnc21
InChIInChI=1S/C13H13N3/c1-3-16-11-7-5-4-6-10(11)12-9(2)14-8-15-13(12)16/h4-8H,3H2,1-2H3
InChIKeyCHFUQUOXDJWGAF-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.91
Rot. Bonds1

About 9-ethyl-4-methylpyrimido[4,5-b]indole

9-ethyl-4-methylpyrimido[4,5-b]indole (PubChem CID 130355431) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 9-ethyl-4-methylpyrimido[4,5-b]indole.

Molecular Properties

Compound Name9-ethyl-4-methylpyrimido[4,5-b]indole
PubChem CID130355431
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name9-ethyl-4-methylpyrimido[4,5-b]indole
SMILESCCn1c2ccccc2c2c(C)ncnc21
InChIInChI=1S/C13H13N3/c1-3-16-11-7-5-4-6-10(11)12-9(2)14-8-15-13(12)16/h4-8H,3H2,1-2H3
InChIKeyCHFUQUOXDJWGAF-UHFFFAOYSA-N
XLogP2.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-ethyl-4-methylpyrimido[4,5-b]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 9-ethyl-4-methylpyrimido[4,5-b]indole?
The IUPAC name of 9-ethyl-4-methylpyrimido[4,5-b]indole (CID 130355431) is 9-ethyl-4-methylpyrimido[4,5-b]indole.
What is the SMILES notation for 9-ethyl-4-methylpyrimido[4,5-b]indole?
The canonical SMILES for 9-ethyl-4-methylpyrimido[4,5-b]indole is CCn1c2ccccc2c2c(C)ncnc21.
What is the InChIKey of 9-ethyl-4-methylpyrimido[4,5-b]indole?
The InChIKey is CHFUQUOXDJWGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-3-16-11-7-5-4-6-10(11)12-9(2)14-8-15-13(12)16/h4-8H,3H2,1-2H3.
What are the key properties of 9-ethyl-4-methylpyrimido[4,5-b]indole?
9-ethyl-4-methylpyrimido[4,5-b]indole has a molecular weight of 211.27 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-4-methylpyrimido[4,5-b]indole is sourced from PubChem (CID 130355431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).