4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine

C13H11ClN2O2 — CID 114747133

IUPAC4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine
SMILESCOc1c(Cl)ncnc1-c1cccc2c1OCC2
InChIInChI=1S/C13H11ClN2O2/c1-17-12-10(15-7-16-13(12)14)9-4-2-3-8-5-6-18-11(8)9/h2-4,7H,5-6H2,1H3
InChIKeyUVMPMDAZHFOPHK-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.74
Rot. Bonds2

About 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine

4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine (PubChem CID 114747133) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine
PubChem CID114747133
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine
SMILESCOc1c(Cl)ncnc1-c1cccc2c1OCC2
InChIInChI=1S/C13H11ClN2O2/c1-17-12-10(15-7-16-13(12)14)9-4-2-3-8-5-6-18-11(8)9/h2-4,7H,5-6H2,1H3
InChIKeyUVMPMDAZHFOPHK-UHFFFAOYSA-N
XLogP2.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine?
The IUPAC name of 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine (CID 114747133) is 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine.
What is the SMILES notation for 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine?
The canonical SMILES for 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine is COc1c(Cl)ncnc1-c1cccc2c1OCC2.
What is the InChIKey of 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine?
The InChIKey is UVMPMDAZHFOPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-17-12-10(15-7-16-13(12)14)9-4-2-3-8-5-6-18-11(8)9/h2-4,7H,5-6H2,1H3.
What are the key properties of 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine?
4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine has a molecular weight of 262.70 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine is sourced from PubChem (CID 114747133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).