3-(2-pyrimidin-4-ylethyl)-1H-indole

C14H13N3 — CID 11470115

IUPAC3-(2-pyrimidin-4-ylethyl)-1H-indole
SMILESc1ccc2c(CCc3ccncn3)c[nH]c2c1
InChIInChI=1S/C14H13N3/c1-2-4-14-13(3-1)11(9-16-14)5-6-12-7-8-15-10-17-12/h1-4,7-10,16H,5-6H2
InChIKeyVEEXILNZSSXTHF-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.74
Rot. Bonds3

About 3-(2-pyrimidin-4-ylethyl)-1H-indole

3-(2-pyrimidin-4-ylethyl)-1H-indole (PubChem CID 11470115) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(2-pyrimidin-4-ylethyl)-1H-indole.

Molecular Properties

Compound Name3-(2-pyrimidin-4-ylethyl)-1H-indole
PubChem CID11470115
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-(2-pyrimidin-4-ylethyl)-1H-indole
SMILESc1ccc2c(CCc3ccncn3)c[nH]c2c1
InChIInChI=1S/C14H13N3/c1-2-4-14-13(3-1)11(9-16-14)5-6-12-7-8-15-10-17-12/h1-4,7-10,16H,5-6H2
InChIKeyVEEXILNZSSXTHF-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrimidin-4-ylethyl)-1H-indole?
The IUPAC name of 3-(2-pyrimidin-4-ylethyl)-1H-indole (CID 11470115) is 3-(2-pyrimidin-4-ylethyl)-1H-indole.
What is the SMILES notation for 3-(2-pyrimidin-4-ylethyl)-1H-indole?
The canonical SMILES for 3-(2-pyrimidin-4-ylethyl)-1H-indole is c1ccc2c(CCc3ccncn3)c[nH]c2c1.
What is the InChIKey of 3-(2-pyrimidin-4-ylethyl)-1H-indole?
The InChIKey is VEEXILNZSSXTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-4-14-13(3-1)11(9-16-14)5-6-12-7-8-15-10-17-12/h1-4,7-10,16H,5-6H2.
What are the key properties of 3-(2-pyrimidin-4-ylethyl)-1H-indole?
3-(2-pyrimidin-4-ylethyl)-1H-indole has a molecular weight of 223.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrimidin-4-ylethyl)-1H-indole is sourced from PubChem (CID 11470115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).