8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one

C11H13N3O2 — CID 169449387

IUPAC8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESCCC(=O)Cc1cn2c(=O)[nH]cc(C)c2n1
InChIInChI=1S/C11H13N3O2/c1-3-9(15)4-8-6-14-10(13-8)7(2)5-12-11(14)16/h5-6H,3-4H2,1-2H3,(H,12,16)
InChIKeyBYPMYFKEXCSFIQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.85
Rot. Bonds3

About 8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one

8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 169449387) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID169449387
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESCCC(=O)Cc1cn2c(=O)[nH]cc(C)c2n1
InChIInChI=1S/C11H13N3O2/c1-3-9(15)4-8-6-14-10(13-8)7(2)5-12-11(14)16/h5-6H,3-4H2,1-2H3,(H,12,16)
InChIKeyBYPMYFKEXCSFIQ-UHFFFAOYSA-N
XLogP0.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one (CID 169449387) is 8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one is CCC(=O)Cc1cn2c(=O)[nH]cc(C)c2n1.
What is the InChIKey of 8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is BYPMYFKEXCSFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-9(15)4-8-6-14-10(13-8)7(2)5-12-11(14)16/h5-6H,3-4H2,1-2H3,(H,12,16).
What are the key properties of 8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 219.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 169449387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).