2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine

C10H4Cl2N2O — CID 58507838

IUPAC2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1nc(Cl)c2oc3ccccc3c2n1
InChIInChI=1S/C10H4Cl2N2O/c11-9-8-7(13-10(12)14-9)5-3-1-2-4-6(5)15-8/h1-4H
InChIKeyPHHATHMJJOZFEK-UHFFFAOYSA-N
MW239.06 g/mol
LogP3.68
Rot. Bonds

About 2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine

2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 58507838) has the molecular formula C10H4Cl2N2O and a molecular weight of 239.06 g/mol. Its IUPAC name is 2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine
PubChem CID58507838
Molecular FormulaC10H4Cl2N2O
Molecular Weight239.06 g/mol
Exact Mass237.97
IUPAC Name2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1nc(Cl)c2oc3ccccc3c2n1
InChIInChI=1S/C10H4Cl2N2O/c11-9-8-7(13-10(12)14-9)5-3-1-2-4-6(5)15-8/h1-4H
InChIKeyPHHATHMJJOZFEK-UHFFFAOYSA-N
XLogP3.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine (CID 58507838) is 2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine is Clc1nc(Cl)c2oc3ccccc3c2n1.
What is the InChIKey of 2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is PHHATHMJJOZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2N2O/c11-9-8-7(13-10(12)14-9)5-3-1-2-4-6(5)15-8/h1-4H.
What are the key properties of 2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine?
2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 239.06 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 58507838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).