6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione

C12H10N4S — CID 2745456

IUPAC6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione
SMILESCc1nc2ccccn2c1-c1ccnc(=S)[nH]1
InChIInChI=1S/C12H10N4S/c1-8-11(9-5-6-13-12(17)15-9)16-7-3-2-4-10(16)14-8/h2-7H,1H3,(H,13,15,17)
InChIKeyJXIYNECIGZSIKR-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.76
Rot. Bonds1

About 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione

6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione (PubChem CID 2745456) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione
PubChem CID2745456
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione
SMILESCc1nc2ccccn2c1-c1ccnc(=S)[nH]1
InChIInChI=1S/C12H10N4S/c1-8-11(9-5-6-13-12(17)15-9)16-7-3-2-4-10(16)14-8/h2-7H,1H3,(H,13,15,17)
InChIKeyJXIYNECIGZSIKR-UHFFFAOYSA-N
XLogP2.76
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione?
The IUPAC name of 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione (CID 2745456) is 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione is Cc1nc2ccccn2c1-c1ccnc(=S)[nH]1.
What is the InChIKey of 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione?
The InChIKey is JXIYNECIGZSIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-8-11(9-5-6-13-12(17)15-9)16-7-3-2-4-10(16)14-8/h2-7H,1H3,(H,13,15,17).
What are the key properties of 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione?
6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione has a molecular weight of 242.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 2745456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).