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

C12H14N4O3 — CID 10635190

IUPAC4-methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCOCCOCn1cc(C#N)c2c(OC)ncnc21
InChIInChI=1S/C12H14N4O3/c1-17-3-4-19-8-16-6-9(5-13)10-11(16)14-7-15-12(10)18-2/h6-7H,3-4,8H2,1-2H3
InChIKeyBFMRAZHALYJZPM-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.93
Rot. Bonds6

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

4-methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 10635190) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID10635190
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCOCCOCn1cc(C#N)c2c(OC)ncnc21
InChIInChI=1S/C12H14N4O3/c1-17-3-4-19-8-16-6-9(5-13)10-11(16)14-7-15-12(10)18-2/h6-7H,3-4,8H2,1-2H3
InChIKeyBFMRAZHALYJZPM-UHFFFAOYSA-N
XLogP0.93
TPSA82.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.93
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-methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 10635190) is 4-methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile is COCCOCn1cc(C#N)c2c(OC)ncnc21.
What is the InChIKey of 4-methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is BFMRAZHALYJZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-17-3-4-19-8-16-6-9(5-13)10-11(16)14-7-15-12(10)18-2/h6-7H,3-4,8H2,1-2H3.
What are the key properties of 4-methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 262.27 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 10635190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).