2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine

C15H16N2OS — CID 2199716

IUPAC2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine
SMILESc1cnc(SCCOc2ccc3c(c2)CCC3)nc1
InChIInChI=1S/C15H16N2OS/c1-3-12-5-6-14(11-13(12)4-1)18-9-10-19-15-16-7-2-8-17-15/h2,5-8,11H,1,3-4,9-10H2
InChIKeyWNSGATTXBVQSAK-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.14
Rot. Bonds5

About 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine

2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine (PubChem CID 2199716) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine
PubChem CID2199716
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine
SMILESc1cnc(SCCOc2ccc3c(c2)CCC3)nc1
InChIInChI=1S/C15H16N2OS/c1-3-12-5-6-14(11-13(12)4-1)18-9-10-19-15-16-7-2-8-17-15/h2,5-8,11H,1,3-4,9-10H2
InChIKeyWNSGATTXBVQSAK-UHFFFAOYSA-N
XLogP3.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-Bromo-4-methylphenoxy)ethylsulfanyl]pyrimidine
CID 1825716
[5-(4-Hexyloxy-phenyl)-pyrimidin-2-yl]-methyl-sulfane
CID 2728726
(4-Ethoxy-benzyl)-[3-(pyrimidin-2-ylsulfanyl)-propyl]-amine
CID 6498225
2-[2-(1-Naphthalenyloxy)ethylthio]pyrimidine
CID 2184557
2-{[2-(2,4-Dimethylphenoxy)ethyl]thio}pyrimidine
CID 2184562
2-({2-[2-(2-Tert-butylphenoxy)ethoxy]ethyl}thio)pyrimidine
CID 2184847
2-{[2-(4-Propoxyphenoxy)ethyl]thio}pyrimidine
CID 2199231
1-{4-[2-(2-Pyrimidinylthio)ethoxy]phenyl}-1-propanone
CID 2199948
2-{[3-(3-Tert-butylphenoxy)propyl]thio}pyrimidine
CID 2199975
2-{[4-(2-Fluorophenoxy)butyl]thio}pyrimidine
CID 2200018
2-{[2-(2-Phenoxyethoxy)ethyl]thio}pyrimidine
CID 2935739
(3-Ethoxy-benzyl)-[3-(pyrimidin-2-ylsulfanyl)-propyl]-amine
CID 17123416

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine (CID 2199716) is 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine is c1cnc(SCCOc2ccc3c(c2)CCC3)nc1.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine?
The InChIKey is WNSGATTXBVQSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-3-12-5-6-14(11-13(12)4-1)18-9-10-19-15-16-7-2-8-17-15/h2,5-8,11H,1,3-4,9-10H2.
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine?
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine has a molecular weight of 272.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]pyrimidine is sourced from PubChem (CID 2199716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).