1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one

C12H15N3O — CID 118564455

IUPAC1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one
SMILESCCc1nc2ncccn2c1C(=O)C(C)C
InChIInChI=1S/C12H15N3O/c1-4-9-10(11(16)8(2)3)15-7-5-6-13-12(15)14-9/h5-8H,4H2,1-3H3
InChIKeyJOXPPVMQBCNCRS-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.13
Rot. Bonds3

About 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one

1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one (PubChem CID 118564455) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one
PubChem CID118564455
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one
SMILESCCc1nc2ncccn2c1C(=O)C(C)C
InChIInChI=1S/C12H15N3O/c1-4-9-10(11(16)8(2)3)15-7-5-6-13-12(15)14-9/h5-8H,4H2,1-3H3
InChIKeyJOXPPVMQBCNCRS-UHFFFAOYSA-N
XLogP2.13
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one (CID 118564455) is 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one is CCc1nc2ncccn2c1C(=O)C(C)C.
What is the InChIKey of 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one?
The InChIKey is JOXPPVMQBCNCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-4-9-10(11(16)8(2)3)15-7-5-6-13-12(15)14-9/h5-8H,4H2,1-3H3.
What are the key properties of 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one?
1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 118564455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).