7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile

C11H12N4O2 — CID 10847159

IUPAC7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCOCn1cc(C#N)c2c(OC)ncnc21
InChIInChI=1S/C11H12N4O2/c1-3-17-7-15-5-8(4-12)9-10(15)13-6-14-11(9)16-2/h5-6H,3,7H2,1-2H3
InChIKeyKNZJQLIDUWRXOO-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.31
Rot. Bonds4

About 7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile

7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 10847159) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID10847159
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCOCn1cc(C#N)c2c(OC)ncnc21
InChIInChI=1S/C11H12N4O2/c1-3-17-7-15-5-8(4-12)9-10(15)13-6-14-11(9)16-2/h5-6H,3,7H2,1-2H3
InChIKeyKNZJQLIDUWRXOO-UHFFFAOYSA-N
XLogP1.31
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 10847159) is 7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile is CCOCn1cc(C#N)c2c(OC)ncnc21.
What is the InChIKey of 7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is KNZJQLIDUWRXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-3-17-7-15-5-8(4-12)9-10(15)13-6-14-11(9)16-2/h5-6H,3,7H2,1-2H3.
What are the key properties of 7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile?
7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 232.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 10847159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).