1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole

C19H22N4O — CID 43841543

IUPAC1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole
SMILESCOCCn1cc(-c2ccnc(N3CCCC3)n2)c2ccccc21
InChIInChI=1S/C19H22N4O/c1-24-13-12-23-14-16(15-6-2-3-7-18(15)23)17-8-9-20-19(21-17)22-10-4-5-11-22/h2-3,6-9,14H,4-5,10-13H2,1H3
InChIKeySKRDSTDQXGAHQE-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.34
Rot. Bonds5

About 1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole

1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole (PubChem CID 43841543) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole
PubChem CID43841543
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole
SMILESCOCCn1cc(-c2ccnc(N3CCCC3)n2)c2ccccc21
InChIInChI=1S/C19H22N4O/c1-24-13-12-23-14-16(15-6-2-3-7-18(15)23)17-8-9-20-19(21-17)22-10-4-5-11-22/h2-3,6-9,14H,4-5,10-13H2,1H3
InChIKeySKRDSTDQXGAHQE-UHFFFAOYSA-N
XLogP3.34
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole (CID 43841543) is 1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole is COCCn1cc(-c2ccnc(N3CCCC3)n2)c2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole?
The InChIKey is SKRDSTDQXGAHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-24-13-12-23-14-16(15-6-2-3-7-18(15)23)17-8-9-20-19(21-17)22-10-4-5-11-22/h2-3,6-9,14H,4-5,10-13H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole?
1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole has a molecular weight of 322.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole is sourced from PubChem (CID 43841543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).