2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one

C17H25N5O — CID 137117551

IUPAC2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1nccn1[C@@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[nH]2)C1
InChIInChI=1S/C17H25N5O/c1-4-15-18-7-9-22(15)14-6-5-8-21(11-14)13(3)17-19-12(2)10-16(23)20-17/h7,9-10,13-14H,4-6,8,11H2,1-3H3,(H,19,20,23)/t13-,14+/m0/s1
InChIKeyHOPJZPWRIFIZAS-UONOGXRCSA-N
MW315.42 g/mol
LogP2.24
Rot. Bonds4

About 2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one

2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137117551) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137117551
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1nccn1[C@@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[nH]2)C1
InChIInChI=1S/C17H25N5O/c1-4-15-18-7-9-22(15)14-6-5-8-21(11-14)13(3)17-19-12(2)10-16(23)20-17/h7,9-10,13-14H,4-6,8,11H2,1-3H3,(H,19,20,23)/t13-,14+/m0/s1
InChIKeyHOPJZPWRIFIZAS-UONOGXRCSA-N
XLogP2.24
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[(1R)-1-[(3S)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
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1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one
CID 136674869
2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137081943
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CID 120503836
4-(2-ethylimidazol-1-yl)-1-methylazepane
CID 84734196
4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 124883297
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
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1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
(3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine
CID 124830392
(2S)-2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119881387
methyl (2S)-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-thiophen-3-ylacetate
CID 124874553
N-cyclopropyl-2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(2-methylpropyl)acetamide
CID 126767722

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one (CID 137117551) is 2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one is CCc1nccn1[C@@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[nH]2)C1.
What is the InChIKey of 2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is HOPJZPWRIFIZAS-UONOGXRCSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-15-18-7-9-22(15)14-6-5-8-21(11-14)13(3)17-19-12(2)10-16(23)20-17/h7,9-10,13-14H,4-6,8,11H2,1-3H3,(H,19,20,23)/t13-,14+/m0/s1.
What are the key properties of 2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one?
2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 315.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137117551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).