2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine

C16H19N5S — CID 141082386

IUPAC2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine
SMILESCCc1nc2cncc(C)c2n1CCCSc1ncccn1
InChIInChI=1S/C16H19N5S/c1-3-14-20-13-11-17-10-12(2)15(13)21(14)8-5-9-22-16-18-6-4-7-19-16/h4,6-7,10-11H,3,5,8-9H2,1-2H3
InChIKeyHJNVJTMOEFELNX-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.27
Rot. Bonds6

About 2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine

2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine (PubChem CID 141082386) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine
PubChem CID141082386
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine
SMILESCCc1nc2cncc(C)c2n1CCCSc1ncccn1
InChIInChI=1S/C16H19N5S/c1-3-14-20-13-11-17-10-12(2)15(13)21(14)8-5-9-22-16-18-6-4-7-19-16/h4,6-7,10-11H,3,5,8-9H2,1-2H3
InChIKeyHJNVJTMOEFELNX-UHFFFAOYSA-N
XLogP3.27
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine (CID 141082386) is 2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine is CCc1nc2cncc(C)c2n1CCCSc1ncccn1.
What is the InChIKey of 2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine?
The InChIKey is HJNVJTMOEFELNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-3-14-20-13-11-17-10-12(2)15(13)21(14)8-5-9-22-16-18-6-4-7-19-16/h4,6-7,10-11H,3,5,8-9H2,1-2H3.
What are the key properties of 2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine?
2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine has a molecular weight of 313.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 141082386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).