3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine

C15H16N4S — CID 122183046

IUPAC3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine
SMILESc1csc(-c2nc3ncccn3c2CN2CCCC2)c1
InChIInChI=1S/C15H16N4S/c1-2-8-18(7-1)11-12-14(13-5-3-10-20-13)17-15-16-6-4-9-19(12)15/h3-6,9-10H,1-2,7-8,11H2
InChIKeyHWBDFCBSHXCBQL-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.05
Rot. Bonds3

About 3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine

3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine (PubChem CID 122183046) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine
PubChem CID122183046
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine
SMILESc1csc(-c2nc3ncccn3c2CN2CCCC2)c1
InChIInChI=1S/C15H16N4S/c1-2-8-18(7-1)11-12-14(13-5-3-10-20-13)17-15-16-6-4-9-19(12)15/h3-6,9-10H,1-2,7-8,11H2
InChIKeyHWBDFCBSHXCBQL-UHFFFAOYSA-N
XLogP3.05
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine (CID 122183046) is 3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine is c1csc(-c2nc3ncccn3c2CN2CCCC2)c1.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine?
The InChIKey is HWBDFCBSHXCBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-8-18(7-1)11-12-14(13-5-3-10-20-13)17-15-16-6-4-9-19(12)15/h3-6,9-10H,1-2,7-8,11H2.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine?
3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine has a molecular weight of 284.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).