2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine

C15H16N2O2S — CID 3126463

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(SCC2COc3ccccc3O2)n1
InChIInChI=1S/C15H16N2O2S/c1-10-7-11(2)17-15(16-10)20-9-12-8-18-13-5-3-4-6-14(13)19-12/h3-7,12H,8-9H2,1-2H3
InChIKeyFAWUNXVXUNCSCN-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.03
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine (PubChem CID 3126463) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine
PubChem CID3126463
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(SCC2COc3ccccc3O2)n1
InChIInChI=1S/C15H16N2O2S/c1-10-7-11(2)17-15(16-10)20-9-12-8-18-13-5-3-4-6-14(13)19-12/h3-7,12H,8-9H2,1-2H3
InChIKeyFAWUNXVXUNCSCN-UHFFFAOYSA-N
XLogP3.03
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine (CID 3126463) is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine is Cc1cc(C)nc(SCC2COc3ccccc3O2)n1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine?
The InChIKey is FAWUNXVXUNCSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-7-11(2)17-15(16-10)20-9-12-8-18-13-5-3-4-6-14(13)19-12/h3-7,12H,8-9H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine?
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine has a molecular weight of 288.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 3126463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).