2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine

C16H12N4S — CID 67819833

IUPAC2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine
SMILESCc1csc(-c2nc3ncccn3c2-c2ccncc2)c1
InChIInChI=1S/C16H12N4S/c1-11-9-13(21-10-11)14-15(12-3-6-17-7-4-12)20-8-2-5-18-16(20)19-14/h2-10H,1H3
InChIKeyRUCSUSVVOFSPSJ-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.83
Rot. Bonds2

About 2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine

2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine (PubChem CID 67819833) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine
PubChem CID67819833
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine
SMILESCc1csc(-c2nc3ncccn3c2-c2ccncc2)c1
InChIInChI=1S/C16H12N4S/c1-11-9-13(21-10-11)14-15(12-3-6-17-7-4-12)20-8-2-5-18-16(20)19-14/h2-10H,1H3
InChIKeyRUCSUSVVOFSPSJ-UHFFFAOYSA-N
XLogP3.83
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine (CID 67819833) is 2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine is Cc1csc(-c2nc3ncccn3c2-c2ccncc2)c1.
What is the InChIKey of 2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine?
The InChIKey is RUCSUSVVOFSPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-11-9-13(21-10-11)14-15(12-3-6-17-7-4-12)20-8-2-5-18-16(20)19-14/h2-10H,1H3.
What are the key properties of 2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine?
2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine has a molecular weight of 292.37 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 67819833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).