3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one

C14H19N3O — CID 123691127

IUPAC3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one
SMILESCCCC(C)CC(=O)c1c(C)nc2ncccn12
InChIInChI=1S/C14H19N3O/c1-4-6-10(2)9-12(18)13-11(3)16-14-15-7-5-8-17(13)14/h5,7-8,10H,4,6,9H2,1-3H3
InChIKeyJRDRFZICVVHORK-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.05
Rot. Bonds5

About 3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one

3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one (PubChem CID 123691127) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one.

Molecular Properties

Compound Name3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one
PubChem CID123691127
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one
SMILESCCCC(C)CC(=O)c1c(C)nc2ncccn12
InChIInChI=1S/C14H19N3O/c1-4-6-10(2)9-12(18)13-11(3)16-14-15-7-5-8-17(13)14/h5,7-8,10H,4,6,9H2,1-3H3
InChIKeyJRDRFZICVVHORK-UHFFFAOYSA-N
XLogP3.05
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.05
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
(4-Fluorophenyl)(imidazo(1,2-A)pyrimidin-3-YL)methanone
CID 4180984
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
6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 178012633
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one?
The IUPAC name of 3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one (CID 123691127) is 3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one.
What is the SMILES notation for 3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one?
The canonical SMILES for 3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one is CCCC(C)CC(=O)c1c(C)nc2ncccn12.
What is the InChIKey of 3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one?
The InChIKey is JRDRFZICVVHORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-6-10(2)9-12(18)13-11(3)16-14-15-7-5-8-17(13)14/h5,7-8,10H,4,6,9H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one?
3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one has a molecular weight of 245.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)hexan-1-one is sourced from PubChem (CID 123691127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).