3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine

C14H13N3S — CID 511757

IUPAC3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine
SMILESc1ccc(CSCc2cnc3ncccn23)cc1
InChIInChI=1S/C14H13N3S/c1-2-5-12(6-3-1)10-18-11-13-9-16-14-15-7-4-8-17(13)14/h1-9H,10-11H2
InChIKeyOYVABCCPGYNGIR-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.16
Rot. Bonds4

About 3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine

3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine (PubChem CID 511757) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine
PubChem CID511757
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine
SMILESc1ccc(CSCc2cnc3ncccn23)cc1
InChIInChI=1S/C14H13N3S/c1-2-5-12(6-3-1)10-18-11-13-9-16-14-15-7-4-8-17(13)14/h1-9H,10-11H2
InChIKeyOYVABCCPGYNGIR-UHFFFAOYSA-N
XLogP3.16
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
2-Phenylimidazo(1,2-a)pyridine
CID 201136
3-Phenylimidazo(1,5-a)pyridine
CID 606670
2-Phenylimidazo[1,2-a]pyrimidine
CID 204149
2-(p-Tolyl)imidazo[1,2-a]pyrimidine
CID 727295
2-Phenylimidazo(1,2-a)pyrimidin-3-amine
CID 16740829
5,7-dimethyl-2-((1-methyl-4-phenyl-1H-imidazol-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
CID 44548780
3-Phenylimidazo[1,2-a]pyridine
CID 255597
5,7-Dimethyl-2-((p-tolylthio)methyl)imidazo[1,2-a]pyrimidine
CID 747980
2-p-Tolylsulfanylmethyl-imidazo[1,2-a]pyridine
CID 914413
2-Methyl-3-{2-[(4-methylbenzyl)thio]pyrimidin-4-yl}imidazo[1,2-a]pyridine
CID 2745491

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine (CID 511757) is 3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine is c1ccc(CSCc2cnc3ncccn23)cc1.
What is the InChIKey of 3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is OYVABCCPGYNGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-2-5-12(6-3-1)10-18-11-13-9-16-14-15-7-4-8-17(13)14/h1-9H,10-11H2.
What are the key properties of 3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 255.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfanylmethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 511757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).