2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione

C16H18N2S — CID 106475280

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCc3ccccc32)[nH]1
InChIInChI=1S/C16H18N2S/c1-2-5-12-10-15(19)18-16(17-12)14-9-8-11-6-3-4-7-13(11)14/h3-4,6-7,10,14H,2,5,8-9H2,1H3,(H,17,18,19)
InChIKeyFETUUQLPOQMSLF-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.17
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione

2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475280) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475280
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCc3ccccc32)[nH]1
InChIInChI=1S/C16H18N2S/c1-2-5-12-10-15(19)18-16(17-12)14-9-8-11-6-3-4-7-13(11)14/h3-4,6-7,10,14H,2,5,8-9H2,1H3,(H,17,18,19)
InChIKeyFETUUQLPOQMSLF-UHFFFAOYSA-N
XLogP4.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione (CID 106475280) is 2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2CCc3ccccc32)[nH]1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is FETUUQLPOQMSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-5-12-10-15(19)18-16(17-12)14-9-8-11-6-3-4-7-13(11)14/h3-4,6-7,10,14H,2,5,8-9H2,1H3,(H,17,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione?
2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 270.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).