4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C13H16N4O3 — CID 10564387

IUPAC4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCOc1ncnc2c1c(C#N)cn2COCCOC
InChIInChI=1S/C13H16N4O3/c1-3-20-13-11-10(6-14)7-17(9-19-5-4-18-2)12(11)15-8-16-13/h7-8H,3-5,9H2,1-2H3
InChIKeyUXZLSPPCWAREJH-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.32
Rot. Bonds7

About 4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 10564387) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID10564387
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCOc1ncnc2c1c(C#N)cn2COCCOC
InChIInChI=1S/C13H16N4O3/c1-3-20-13-11-10(6-14)7-17(9-19-5-4-18-2)12(11)15-8-16-13/h7-8H,3-5,9H2,1-2H3
InChIKeyUXZLSPPCWAREJH-UHFFFAOYSA-N
XLogP1.32
TPSA82.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 10564387) is 4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile is CCOc1ncnc2c1c(C#N)cn2COCCOC.
What is the InChIKey of 4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is UXZLSPPCWAREJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-3-20-13-11-10(6-14)7-17(9-19-5-4-18-2)12(11)15-8-16-13/h7-8H,3-5,9H2,1-2H3.
What are the key properties of 4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 10564387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).