2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one

C11H9N5OS — CID 5203363

IUPAC2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(SCc2cn3cccnc3n2)[nH]1
InChIInChI=1S/C11H9N5OS/c17-9-2-4-13-11(15-9)18-7-8-6-16-5-1-3-12-10(16)14-8/h1-6H,7H2,(H,13,15,17)
InChIKeyWMHPIDQDNIBTQY-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.10
Rot. Bonds3

About 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one

2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 5203363) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID5203363
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(SCc2cn3cccnc3n2)[nH]1
InChIInChI=1S/C11H9N5OS/c17-9-2-4-13-11(15-9)18-7-8-6-16-5-1-3-12-10(16)14-8/h1-6H,7H2,(H,13,15,17)
InChIKeyWMHPIDQDNIBTQY-UHFFFAOYSA-N
XLogP1.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one (CID 5203363) is 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one is O=c1ccnc(SCc2cn3cccnc3n2)[nH]1.
What is the InChIKey of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is WMHPIDQDNIBTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c17-9-2-4-13-11(15-9)18-7-8-6-16-5-1-3-12-10(16)14-8/h1-6H,7H2,(H,13,15,17).
What are the key properties of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 259.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 5203363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).