4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethylpyrimidine

C14H13ClN2O2 — CID 65350673

IUPAC4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(C2COc3ccccc3O2)n1
InChIInChI=1S/C14H13ClN2O2/c1-2-9-7-13(15)17-14(16-9)12-8-18-10-5-3-4-6-11(10)19-12/h3-7,12H,2,8H2,1H3
InChIKeyCIXKLDHTUGAMHQ-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.20
Rot. Bonds2

About 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethylpyrimidine

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethylpyrimidine (PubChem CID 65350673) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethylpyrimidine
PubChem CID65350673
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(C2COc3ccccc3O2)n1
InChIInChI=1S/C14H13ClN2O2/c1-2-9-7-13(15)17-14(16-9)12-8-18-10-5-3-4-6-11(10)19-12/h3-7,12H,2,8H2,1H3
InChIKeyCIXKLDHTUGAMHQ-UHFFFAOYSA-N
XLogP3.20
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.20
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-ethylpyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethylpyrimidine (CID 65350673) is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethylpyrimidine is CCc1cc(Cl)nc(C2COc3ccccc3O2)n1.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethylpyrimidine?
The InChIKey is CIXKLDHTUGAMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-2-9-7-13(15)17-14(16-9)12-8-18-10-5-3-4-6-11(10)19-12/h3-7,12H,2,8H2,1H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethylpyrimidine?
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethylpyrimidine has a molecular weight of 276.72 g/mol, XLogP of 3.20, 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-ethylpyrimidine is sourced from PubChem (CID 65350673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).