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

C11H7ClN2O — CID 603361

IUPAC4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2oc3ccccc3c2n1
InChIInChI=1S/C11H7ClN2O/c1-6-13-9-7-4-2-3-5-8(7)15-10(9)11(12)14-6/h2-5H,1H3
InChIKeyGXGXMTZNONDUMY-UHFFFAOYSA-N
MW218.64 g/mol
LogP3.34
Rot. Bonds

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

4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 603361) has the molecular formula C11H7ClN2O and a molecular weight of 218.64 g/mol. Its IUPAC name is 4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID603361
Molecular FormulaC11H7ClN2O
Molecular Weight218.64 g/mol
Exact Mass218.02
IUPAC Name4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2oc3ccccc3c2n1
InChIInChI=1S/C11H7ClN2O/c1-6-13-9-7-4-2-3-5-8(7)15-10(9)11(12)14-6/h2-5H,1H3
InChIKeyGXGXMTZNONDUMY-UHFFFAOYSA-N
XLogP3.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine (CID 603361) is 4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine is Cc1nc(Cl)c2oc3ccccc3c2n1.
What is the InChIKey of 4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is GXGXMTZNONDUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O/c1-6-13-9-7-4-2-3-5-8(7)15-10(9)11(12)14-6/h2-5H,1H3.
What are the key properties of 4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine?
4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 218.64 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 603361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).