2-(furan-2-yl)pyrimidine-4-carbaldehyde

C9H6N2O2 — CID 62747546

IUPAC2-(furan-2-yl)pyrimidine-4-carbaldehyde
SMILESO=Cc1ccnc(-c2ccco2)n1
InChIInChI=1S/C9H6N2O2/c12-6-7-3-4-10-9(11-7)8-2-1-5-13-8/h1-6H
InChIKeyXDMDXTYKJQGOPR-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.55
Rot. Bonds2

About 2-(furan-2-yl)pyrimidine-4-carbaldehyde

2-(furan-2-yl)pyrimidine-4-carbaldehyde (PubChem CID 62747546) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-(furan-2-yl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-(furan-2-yl)pyrimidine-4-carbaldehyde
PubChem CID62747546
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name2-(furan-2-yl)pyrimidine-4-carbaldehyde
SMILESO=Cc1ccnc(-c2ccco2)n1
InChIInChI=1S/C9H6N2O2/c12-6-7-3-4-10-9(11-7)8-2-1-5-13-8/h1-6H
InChIKeyXDMDXTYKJQGOPR-UHFFFAOYSA-N
XLogP1.55
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)pyrimidine-4-carbaldehyde?
The IUPAC name of 2-(furan-2-yl)pyrimidine-4-carbaldehyde (CID 62747546) is 2-(furan-2-yl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-(furan-2-yl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 2-(furan-2-yl)pyrimidine-4-carbaldehyde is O=Cc1ccnc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)pyrimidine-4-carbaldehyde?
The InChIKey is XDMDXTYKJQGOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-6-7-3-4-10-9(11-7)8-2-1-5-13-8/h1-6H.
What are the key properties of 2-(furan-2-yl)pyrimidine-4-carbaldehyde?
2-(furan-2-yl)pyrimidine-4-carbaldehyde has a molecular weight of 174.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 62747546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).