8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine

C14H12ClN3O — CID 71201273

IUPAC8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1CN(c2ncnc3c2oc2ccc(Cl)cc23)C1
InChIInChI=1S/C14H12ClN3O/c1-8-5-18(6-8)14-13-12(16-7-17-14)10-4-9(15)2-3-11(10)19-13/h2-4,7-8H,5-6H2,1H3
InChIKeyWDSUMBSWQHDKCM-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.49
Rot. Bonds1

About 8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine

8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 71201273) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID71201273
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1CN(c2ncnc3c2oc2ccc(Cl)cc23)C1
InChIInChI=1S/C14H12ClN3O/c1-8-5-18(6-8)14-13-12(16-7-17-14)10-4-9(15)2-3-11(10)19-13/h2-4,7-8H,5-6H2,1H3
InChIKeyWDSUMBSWQHDKCM-UHFFFAOYSA-N
XLogP3.49
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 71201273) is 8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine is CC1CN(c2ncnc3c2oc2ccc(Cl)cc23)C1.
What is the InChIKey of 8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is WDSUMBSWQHDKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-8-5-18(6-8)14-13-12(16-7-17-14)10-4-9(15)2-3-11(10)19-13/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 273.72 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 71201273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).