2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine

C11H9N5S — CID 700168

IUPAC2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine
SMILESc1cnc(SCc2cn3cccnc3n2)nc1
InChIInChI=1S/C11H9N5S/c1-3-13-11(14-4-1)17-8-9-7-16-6-2-5-12-10(16)15-9/h1-7H,8H2
InChIKeyJRTCHUUXIDBNMS-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.81
Rot. Bonds3

About 2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine

2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine (PubChem CID 700168) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine
PubChem CID700168
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine
SMILESc1cnc(SCc2cn3cccnc3n2)nc1
InChIInChI=1S/C11H9N5S/c1-3-13-11(14-4-1)17-8-9-7-16-6-2-5-12-10(16)15-9/h1-7H,8H2
InChIKeyJRTCHUUXIDBNMS-UHFFFAOYSA-N
XLogP1.81
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine (CID 700168) is 2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine is c1cnc(SCc2cn3cccnc3n2)nc1.
What is the InChIKey of 2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is JRTCHUUXIDBNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c1-3-13-11(14-4-1)17-8-9-7-16-6-2-5-12-10(16)15-9/h1-7H,8H2.
What are the key properties of 2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 243.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 700168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).