2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde

C13H10N4OS — CID 55238198

IUPAC2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccnc(Sc2nc3ccccn3c2C=O)n1
InChIInChI=1S/C13H10N4OS/c1-9-5-6-14-13(15-9)19-12-10(8-18)17-7-3-2-4-11(17)16-12/h2-8H,1H3
InChIKeyIYDSMGZXTBCXJR-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.40
Rot. Bonds3

About 2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde

2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 55238198) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID55238198
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1ccnc(Sc2nc3ccccn3c2C=O)n1
InChIInChI=1S/C13H10N4OS/c1-9-5-6-14-13(15-9)19-12-10(8-18)17-7-3-2-4-11(17)16-12/h2-8H,1H3
InChIKeyIYDSMGZXTBCXJR-UHFFFAOYSA-N
XLogP2.40
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 55238198) is 2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde is Cc1ccnc(Sc2nc3ccccn3c2C=O)n1.
What is the InChIKey of 2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is IYDSMGZXTBCXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c1-9-5-6-14-13(15-9)19-12-10(8-18)17-7-3-2-4-11(17)16-12/h2-8H,1H3.
What are the key properties of 2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde?
2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 270.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 55238198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).