3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one

C12H12N4O — CID 170372870

IUPAC3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one
SMILESC=C1CCC(c2ncc3ncccn23)C(=O)N1
InChIInChI=1S/C12H12N4O/c1-8-3-4-9(12(17)15-8)11-14-7-10-13-5-2-6-16(10)11/h2,5-7,9H,1,3-4H2,(H,15,17)
InChIKeyQFOZKNOQRIFDCL-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.24
Rot. Bonds1

About 3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one

3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one (PubChem CID 170372870) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one
PubChem CID170372870
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one
SMILESC=C1CCC(c2ncc3ncccn23)C(=O)N1
InChIInChI=1S/C12H12N4O/c1-8-3-4-9(12(17)15-8)11-14-7-10-13-5-2-6-16(10)11/h2,5-7,9H,1,3-4H2,(H,15,17)
InChIKeyQFOZKNOQRIFDCL-UHFFFAOYSA-N
XLogP1.24
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyrimido[1,2-c]pyrimidin-6-one
CID 156697085
2-imidazo[1,5-a]pyridin-3-yl-5-methylidenemorpholin-3-one
CID 170372418
3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one
CID 170129166
imidazo[1,5-a]pyrimidin-6-amine
CID 69460100
2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one
CID 167615716
3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)-6-methylidenepiperidin-2-one
CID 170129244
6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine
CID 105470149
ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one
CID 167469898
6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine
CID 105470150
3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one
CID 170009468
3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one
CID 157299388
3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione
CID 166536427

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one?
The IUPAC name of 3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one (CID 170372870) is 3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one is C=C1CCC(c2ncc3ncccn23)C(=O)N1.
What is the InChIKey of 3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one?
The InChIKey is QFOZKNOQRIFDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-3-4-9(12(17)15-8)11-14-7-10-13-5-2-6-16(10)11/h2,5-7,9H,1,3-4H2,(H,15,17).
What are the key properties of 3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one?
3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one has a molecular weight of 228.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,5-a]pyrimidin-6-yl-6-methylidenepiperidin-2-one is sourced from PubChem (CID 170372870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).