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

C10H5ClN2O — CID 609295

IUPAC4-chloro-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1ncnc2c1oc1ccccc12
InChIInChI=1S/C10H5ClN2O/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H
InChIKeyABRHSRPOYMSBOI-UHFFFAOYSA-N
MW204.62 g/mol
LogP3.03
Rot. Bonds

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

4-chloro-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 609295) has the molecular formula C10H5ClN2O and a molecular weight of 204.62 g/mol. Its IUPAC name is 4-chloro-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-[1]benzofuro[3,2-d]pyrimidine
PubChem CID609295
Molecular FormulaC10H5ClN2O
Molecular Weight204.62 g/mol
Exact Mass204.01
IUPAC Name4-chloro-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1ncnc2c1oc1ccccc12
InChIInChI=1S/C10H5ClN2O/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H
InChIKeyABRHSRPOYMSBOI-UHFFFAOYSA-N
XLogP3.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-[1]benzofuro[3,2-d]pyrimidine (CID 609295) is 4-chloro-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-[1]benzofuro[3,2-d]pyrimidine is Clc1ncnc2c1oc1ccccc12.
What is the InChIKey of 4-chloro-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is ABRHSRPOYMSBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H.
What are the key properties of 4-chloro-[1]benzofuro[3,2-d]pyrimidine?
4-chloro-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 204.62 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 609295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).