2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde

C7H2Cl2N2O2 — CID 164886317

IUPAC2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde
SMILESO=Cc1cc2nc(Cl)nc(Cl)c2o1
InChIInChI=1S/C7H2Cl2N2O2/c8-6-5-4(10-7(9)11-6)1-3(2-12)13-5/h1-2H
InChIKeyRRNWIIOZSDBEPL-UHFFFAOYSA-N
MW217.01 g/mol
LogP2.34
Rot. Bonds1

About 2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde

2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde (PubChem CID 164886317) has the molecular formula C7H2Cl2N2O2 and a molecular weight of 217.01 g/mol. Its IUPAC name is 2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde
PubChem CID164886317
Molecular FormulaC7H2Cl2N2O2
Molecular Weight217.01 g/mol
Exact Mass215.95
IUPAC Name2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde
SMILESO=Cc1cc2nc(Cl)nc(Cl)c2o1
InChIInChI=1S/C7H2Cl2N2O2/c8-6-5-4(10-7(9)11-6)1-3(2-12)13-5/h1-2H
InChIKeyRRNWIIOZSDBEPL-UHFFFAOYSA-N
XLogP2.34
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.01
LogP ≤ 52.34
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 2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde?
The IUPAC name of 2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde (CID 164886317) is 2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde?
The canonical SMILES for 2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde is O=Cc1cc2nc(Cl)nc(Cl)c2o1.
What is the InChIKey of 2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde?
The InChIKey is RRNWIIOZSDBEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2N2O2/c8-6-5-4(10-7(9)11-6)1-3(2-12)13-5/h1-2H.
What are the key properties of 2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde?
2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde has a molecular weight of 217.01 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorofuro[3,2-d]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 164886317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).