5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine

C15H10N2O2S — CID 141147881

IUPAC5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine
SMILESc1csc(-c2ncncc2-c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H10N2O2S/c1-2-14(20-5-1)15-11(7-16-8-17-15)10-3-4-12-13(6-10)19-9-18-12/h1-8H,9H2
InChIKeyZZWGPLRUAZBESU-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.60
Rot. Bonds2

About 5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine

5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine (PubChem CID 141147881) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine
PubChem CID141147881
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine
SMILESc1csc(-c2ncncc2-c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H10N2O2S/c1-2-14(20-5-1)15-11(7-16-8-17-15)10-3-4-12-13(6-10)19-9-18-12/h1-8H,9H2
InChIKeyZZWGPLRUAZBESU-UHFFFAOYSA-N
XLogP3.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-yl)-5-propan-2-ylpyrimidine
CID 146252856
3-(1,3-benzodioxol-5-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198778
N-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine
CID 23536702
1-(1,3-benzodioxol-5-yloxy)-4-thiophen-2-ylphthalazine
CID 705874
6-(1,3-benzodioxol-5-yl)-7H-purine
CID 119064876
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-thiophen-2-ylquinoxaline
CID 10499889
5-(1-benzothiophen-5-yl)-1,3-benzodioxole
CID 163567216
5-(1,3-benzodioxol-5-yl)-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3362015
N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrimidin-4-amine
CID 75384889
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55791866
5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
CID 142774002
5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine (CID 141147881) is 5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine is c1csc(-c2ncncc2-c2ccc3c(c2)OCO3)c1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine?
The InChIKey is ZZWGPLRUAZBESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c1-2-14(20-5-1)15-11(7-16-8-17-15)10-3-4-12-13(6-10)19-9-18-12/h1-8H,9H2.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine?
5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine has a molecular weight of 282.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 141147881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).