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

C13H17N3O — CID 144672681

IUPAC1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylbutan-1-one
SMILESCCc1nc2ncccn2c1C(=O)C(C)CC
InChIInChI=1S/C13H17N3O/c1-4-9(3)12(17)11-10(5-2)15-13-14-7-6-8-16(11)13/h6-9H,4-5H2,1-3H3
InChIKeyGXZINBYSJJOZDX-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.52
Rot. Bonds4

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

1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylbutan-1-one (PubChem CID 144672681) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylbutan-1-one
PubChem CID144672681
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylbutan-1-one
SMILESCCc1nc2ncccn2c1C(=O)C(C)CC
InChIInChI=1S/C13H17N3O/c1-4-9(3)12(17)11-10(5-2)15-13-14-7-6-8-16(11)13/h6-9H,4-5H2,1-3H3
InChIKeyGXZINBYSJJOZDX-UHFFFAOYSA-N
XLogP2.52
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Ethylimidazo[1,2-a]pyrimidin-3-yl)-phenyl-methanone
CID 455749
Kkbnwgnmsrchmn-uhfffaoysa-
CID 13248811
Imidazo[1,2-a]pyrimidin-3-yl-(4-methylphenyl)methanone
CID 177645348
1-(2-Methylimidazo(1,2-a)pyrimidin-3-yl)ethanone
CID 13485361
1-(6-Fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylpropan-1-one
CID 123829652
(2-Ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone
CID 155328033
2-Cyclopentyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 178012620
4-(1-acetylpiperidin-4-yl)-N-butyl-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 97526959
2-Ethylimidazo[1,2-A]pyrimidine-3-carbaldehyde
CID 13128675
3-Bromoacetyl-2-methylimidazo[1,2-a]pyrimidine hydrobromide
CID 20157445
2-Bromo-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone
CID 20157446
Pyrimido[1,2-a]benzimidazole-8,9-dione
CID 23459861

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylbutan-1-one?
The IUPAC name of 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylbutan-1-one (CID 144672681) is 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylbutan-1-one?
The canonical SMILES for 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylbutan-1-one is CCc1nc2ncccn2c1C(=O)C(C)CC.
What is the InChIKey of 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylbutan-1-one?
The InChIKey is GXZINBYSJJOZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-9(3)12(17)11-10(5-2)15-13-14-7-6-8-16(11)13/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylbutan-1-one?
1-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-2-methylbutan-1-one has a molecular weight of 231.30 g/mol, XLogP of 2.52, 4 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-methylbutan-1-one is sourced from PubChem (CID 144672681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).