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

C11H10N6OS — CID 135467483

IUPAC4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCc2cn3cccnc3n2)n1
InChIInChI=1S/C11H10N6OS/c12-8-4-9(18)16-11(15-8)19-6-7-5-17-3-1-2-13-10(17)14-7/h1-5H,6H2,(H3,12,15,16,18)
InChIKeyIWTAEXJMYXCJMD-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.69
Rot. Bonds3

About 4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one

4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 135467483) has the molecular formula C11H10N6OS and a molecular weight of 274.31 g/mol. Its IUPAC name is 4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID135467483
Molecular FormulaC11H10N6OS
Molecular Weight274.31 g/mol
Exact Mass274.06
IUPAC Name4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCc2cn3cccnc3n2)n1
InChIInChI=1S/C11H10N6OS/c12-8-4-9(18)16-11(15-8)19-6-7-5-17-3-1-2-13-10(17)14-7/h1-5H,6H2,(H3,12,15,16,18)
InChIKeyIWTAEXJMYXCJMD-UHFFFAOYSA-N
XLogP0.69
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one (CID 135467483) is 4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(SCc2cn3cccnc3n2)n1.
What is the InChIKey of 4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is IWTAEXJMYXCJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6OS/c12-8-4-9(18)16-11(15-8)19-6-7-5-17-3-1-2-13-10(17)14-7/h1-5H,6H2,(H3,12,15,16,18).
What are the key properties of 4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 274.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135467483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).