4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol

C13H11N3OS — CID 54910843

IUPAC4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol
SMILESOc1ccc(SCc2cn3cccnc3n2)cc1
InChIInChI=1S/C13H11N3OS/c17-11-2-4-12(5-3-11)18-9-10-8-16-7-1-6-14-13(16)15-10/h1-8,17H,9H2
InChIKeyDAHRUOGFCAFFQP-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.73
Rot. Bonds3

About 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol

4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol (PubChem CID 54910843) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol
PubChem CID54910843
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol
SMILESOc1ccc(SCc2cn3cccnc3n2)cc1
InChIInChI=1S/C13H11N3OS/c17-11-2-4-12(5-3-11)18-9-10-8-16-7-1-6-14-13(16)15-10/h1-8,17H,9H2
InChIKeyDAHRUOGFCAFFQP-UHFFFAOYSA-N
XLogP2.73
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol?
The IUPAC name of 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol (CID 54910843) is 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol.
What is the SMILES notation for 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol?
The canonical SMILES for 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol is Oc1ccc(SCc2cn3cccnc3n2)cc1.
What is the InChIKey of 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol?
The InChIKey is DAHRUOGFCAFFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c17-11-2-4-12(5-3-11)18-9-10-8-16-7-1-6-14-13(16)15-10/h1-8,17H,9H2.
What are the key properties of 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol?
4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol has a molecular weight of 257.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenol is sourced from PubChem (CID 54910843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).