7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

C15H22N4O2 — CID 125017304

IUPAC7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCCOCCN1CCCC[C@H]1c1cc(=O)n2ccnc2[nH]1
InChIInChI=1S/C15H22N4O2/c1-2-21-10-9-18-7-4-3-5-13(18)12-11-14(20)19-8-6-16-15(19)17-12/h6,8,11,13H,2-5,7,9-10H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyNTHLSPHBPXBOQQ-ZDUSSCGKSA-N
MW290.37 g/mol
LogP1.59
Rot. Bonds5

About 7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 125017304) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID125017304
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCCOCCN1CCCC[C@H]1c1cc(=O)n2ccnc2[nH]1
InChIInChI=1S/C15H22N4O2/c1-2-21-10-9-18-7-4-3-5-13(18)12-11-14(20)19-8-6-16-15(19)17-12/h6,8,11,13H,2-5,7,9-10H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyNTHLSPHBPXBOQQ-ZDUSSCGKSA-N
XLogP1.59
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124956145
7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118136
7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118248
7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124976287
7-[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118175
7-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118084
7-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118205
7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 125026892
7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124947088
7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124976079
7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124967459
7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124952271

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (CID 125017304) is 7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is CCOCCN1CCCC[C@H]1c1cc(=O)n2ccnc2[nH]1.
What is the InChIKey of 7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is NTHLSPHBPXBOQQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-21-10-9-18-7-4-3-5-13(18)12-11-14(20)19-8-6-16-15(19)17-12/h6,8,11,13H,2-5,7,9-10H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 290.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 125017304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).