1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one

C11H13N3O — CID 135193956

IUPAC1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1cnc2ncccn12
InChIInChI=1S/C11H13N3O/c1-3-8(2)10(15)9-7-13-11-12-5-4-6-14(9)11/h4-8H,3H2,1-2H3
InChIKeyYFXJQBBLDUHHDA-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.96
Rot. Bonds3

About 1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one

1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one (PubChem CID 135193956) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one
PubChem CID135193956
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1cnc2ncccn12
InChIInChI=1S/C11H13N3O/c1-3-8(2)10(15)9-7-13-11-12-5-4-6-14(9)11/h4-8H,3H2,1-2H3
InChIKeyYFXJQBBLDUHHDA-UHFFFAOYSA-N
XLogP1.96
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one?
The IUPAC name of 1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one (CID 135193956) is 1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one.
What is the SMILES notation for 1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one?
The canonical SMILES for 1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one is CCC(C)C(=O)c1cnc2ncccn12.
What is the InChIKey of 1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one?
The InChIKey is YFXJQBBLDUHHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-8(2)10(15)9-7-13-11-12-5-4-6-14(9)11/h4-8H,3H2,1-2H3.
What are the key properties of 1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one?
1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one has a molecular weight of 203.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one is sourced from PubChem (CID 135193956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).