4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine

C15H15ClN2O2 — CID 65351048

IUPAC4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(C2COc3ccccc3O2)nc(Cl)c1C
InChIInChI=1S/C15H15ClN2O2/c1-3-10-9(2)14(16)18-15(17-10)13-8-19-11-6-4-5-7-12(11)20-13/h4-7,13H,3,8H2,1-2H3
InChIKeyZVUPQYMHTBQGPM-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.51
Rot. Bonds2

About 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine (PubChem CID 65351048) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine
PubChem CID65351048
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(C2COc3ccccc3O2)nc(Cl)c1C
InChIInChI=1S/C15H15ClN2O2/c1-3-10-9(2)14(16)18-15(17-10)13-8-19-11-6-4-5-7-12(11)20-13/h4-7,13H,3,8H2,1-2H3
InChIKeyZVUPQYMHTBQGPM-UHFFFAOYSA-N
XLogP3.51
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine (CID 65351048) is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine is CCc1nc(C2COc3ccccc3O2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine?
The InChIKey is ZVUPQYMHTBQGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-3-10-9(2)14(16)18-15(17-10)13-8-19-11-6-4-5-7-12(11)20-13/h4-7,13H,3,8H2,1-2H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine?
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine has a molecular weight of 290.75 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-5-methylpyrimidine is sourced from PubChem (CID 65351048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).