4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile

C15H11N3O3 — CID 70079353

IUPAC4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile
SMILESCCOc1nc(-c2ccco2)nc(-c2ccco2)c1C#N
InChIInChI=1S/C15H11N3O3/c1-2-19-15-10(9-16)13(11-5-3-7-20-11)17-14(18-15)12-6-4-8-21-12/h3-8H,2H2,1H3
InChIKeyBHCQVPQFYMZCRY-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.27
Rot. Bonds4

About 4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile

4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile (PubChem CID 70079353) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile
PubChem CID70079353
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile
SMILESCCOc1nc(-c2ccco2)nc(-c2ccco2)c1C#N
InChIInChI=1S/C15H11N3O3/c1-2-19-15-10(9-16)13(11-5-3-7-20-11)17-14(18-15)12-6-4-8-21-12/h3-8H,2H2,1H3
InChIKeyBHCQVPQFYMZCRY-UHFFFAOYSA-N
XLogP3.27
TPSA85.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile (CID 70079353) is 4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile is CCOc1nc(-c2ccco2)nc(-c2ccco2)c1C#N.
What is the InChIKey of 4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile?
The InChIKey is BHCQVPQFYMZCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-2-19-15-10(9-16)13(11-5-3-7-20-11)17-14(18-15)12-6-4-8-21-12/h3-8H,2H2,1H3.
What are the key properties of 4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile?
4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile has a molecular weight of 281.27 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 70079353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).