2-(5-pyrimidin-2-ylindol-1-yl)ethanol

C14H13N3O — CID 137376283

IUPAC2-(5-pyrimidin-2-ylindol-1-yl)ethanol
SMILESOCCn1ccc2cc(-c3ncccn3)ccc21
InChIInChI=1S/C14H13N3O/c18-9-8-17-7-4-11-10-12(2-3-13(11)17)14-15-5-1-6-16-14/h1-7,10,18H,8-9H2
InChIKeyZSBRCJWUDQCVON-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.09
Rot. Bonds3

About 2-(5-pyrimidin-2-ylindol-1-yl)ethanol

2-(5-pyrimidin-2-ylindol-1-yl)ethanol (PubChem CID 137376283) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(5-pyrimidin-2-ylindol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-pyrimidin-2-ylindol-1-yl)ethanol
PubChem CID137376283
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(5-pyrimidin-2-ylindol-1-yl)ethanol
SMILESOCCn1ccc2cc(-c3ncccn3)ccc21
InChIInChI=1S/C14H13N3O/c18-9-8-17-7-4-11-10-12(2-3-13(11)17)14-15-5-1-6-16-14/h1-7,10,18H,8-9H2
InChIKeyZSBRCJWUDQCVON-UHFFFAOYSA-N
XLogP2.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-pyrimidin-2-ylindol-1-yl)ethanol 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 2-(5-pyrimidin-2-ylindol-1-yl)ethanol?
The IUPAC name of 2-(5-pyrimidin-2-ylindol-1-yl)ethanol (CID 137376283) is 2-(5-pyrimidin-2-ylindol-1-yl)ethanol.
What is the SMILES notation for 2-(5-pyrimidin-2-ylindol-1-yl)ethanol?
The canonical SMILES for 2-(5-pyrimidin-2-ylindol-1-yl)ethanol is OCCn1ccc2cc(-c3ncccn3)ccc21.
What is the InChIKey of 2-(5-pyrimidin-2-ylindol-1-yl)ethanol?
The InChIKey is ZSBRCJWUDQCVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-9-8-17-7-4-11-10-12(2-3-13(11)17)14-15-5-1-6-16-14/h1-7,10,18H,8-9H2.
What are the key properties of 2-(5-pyrimidin-2-ylindol-1-yl)ethanol?
2-(5-pyrimidin-2-ylindol-1-yl)ethanol has a molecular weight of 239.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrimidin-2-ylindol-1-yl)ethanol is sourced from PubChem (CID 137376283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).