N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine

C20H19N5O — CID 3234664

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3cc(-c4cccnc4)ncn3)c2c1
InChIInChI=1S/C20H19N5O/c1-26-16-4-5-18-17(9-16)14(12-23-18)6-8-22-20-10-19(24-13-25-20)15-3-2-7-21-11-15/h2-5,7,9-13,23H,6,8H2,1H3,(H,22,24,25)
InChIKeyOEQBTQBMZJLFGU-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 3234664) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID3234664
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3cc(-c4cccnc4)ncn3)c2c1
InChIInChI=1S/C20H19N5O/c1-26-16-4-5-18-17(9-16)14(12-23-18)6-8-22-20-10-19(24-13-25-20)15-3-2-7-21-11-15/h2-5,7,9-13,23H,6,8H2,1H3,(H,22,24,25)
InChIKeyOEQBTQBMZJLFGU-UHFFFAOYSA-N
XLogP3.68
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine 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 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine (CID 3234664) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine is COc1ccc2[nH]cc(CCNc3cc(-c4cccnc4)ncn3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is OEQBTQBMZJLFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-26-16-4-5-18-17(9-16)14(12-23-18)6-8-22-20-10-19(24-13-25-20)15-3-2-7-21-11-15/h2-5,7,9-13,23H,6,8H2,1H3,(H,22,24,25).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 345.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 3234664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).