6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one

C12H17N3O2 — CID 96815351

IUPAC6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1nc2n(C)c(C)c(C)n2c(=O)c1CCO
InChIInChI=1S/C12H17N3O2/c1-7-10(5-6-16)11(17)15-9(3)8(2)14(4)12(15)13-7/h16H,5-6H2,1-4H3
InChIKeyZCOMBNWBSNEEMI-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.49
Rot. Bonds2

About 6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one

6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 96815351) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one
PubChem CID96815351
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1nc2n(C)c(C)c(C)n2c(=O)c1CCO
InChIInChI=1S/C12H17N3O2/c1-7-10(5-6-16)11(17)15-9(3)8(2)14(4)12(15)13-7/h16H,5-6H2,1-4H3
InChIKeyZCOMBNWBSNEEMI-UHFFFAOYSA-N
XLogP0.49
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one (CID 96815351) is 6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one is Cc1nc2n(C)c(C)c(C)n2c(=O)c1CCO.
What is the InChIKey of 6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is ZCOMBNWBSNEEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-10(5-6-16)11(17)15-9(3)8(2)14(4)12(15)13-7/h16H,5-6H2,1-4H3.
What are the key properties of 6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one?
6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 235.29 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-1,2,3,7-tetramethylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 96815351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).