1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one

C14H21N6O2+ — CID 8595838

IUPAC1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one
SMILESC[C@@H](C(=O)N1CCNC1=O)[NH+]1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H20N6O2/c1-11(12(21)20-6-5-17-14(20)22)18-7-9-19(10-8-18)13-15-3-2-4-16-13/h2-4,11H,5-10H2,1H3,(H,17,22)/p+1/t11-/m0/s1
InChIKeyPBWBWIREBDLXDH-NSHDSACASA-O
MW305.36 g/mol
LogP-1.88
Rot. Bonds3

About 1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one

1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one (PubChem CID 8595838) has the molecular formula C14H21N6O2+ and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one
PubChem CID8595838
Molecular FormulaC14H21N6O2+
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one
SMILESC[C@@H](C(=O)N1CCNC1=O)[NH+]1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H20N6O2/c1-11(12(21)20-6-5-17-14(20)22)18-7-9-19(10-8-18)13-15-3-2-4-16-13/h2-4,11H,5-10H2,1H3,(H,17,22)/p+1/t11-/m0/s1
InChIKeyPBWBWIREBDLXDH-NSHDSACASA-O
XLogP-1.88
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one
CID 8692344
1-[(2S)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one
CID 8549926
1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9134780
1-[(2S)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]imidazolidin-2-one
CID 8754338
1-[(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one
CID 8621915
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9445490
(2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 2612747
1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one
CID 8619055
(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 11930213
(2R)-N-(2,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9445502
(2S)-N-[(1R)-1-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9346900
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9445560

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one (CID 8595838) is 1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one is C[C@@H](C(=O)N1CCNC1=O)[NH+]1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one?
The InChIKey is PBWBWIREBDLXDH-NSHDSACASA-O. The full InChI is InChI=1S/C14H20N6O2/c1-11(12(21)20-6-5-17-14(20)22)18-7-9-19(10-8-18)13-15-3-2-4-16-13/h2-4,11H,5-10H2,1H3,(H,17,22)/p+1/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one?
1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one has a molecular weight of 305.36 g/mol, XLogP of -1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8595838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).