(3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione

C16H23N5O2 — CID 7340873

IUPAC(3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@@H](N2CCN(c3nc(C)cc(C)n3)CC2)C1=O
InChIInChI=1S/C16H23N5O2/c1-4-21-14(22)10-13(15(21)23)19-5-7-20(8-6-19)16-17-11(2)9-12(3)18-16/h9,13H,4-8,10H2,1-3H3/t13-/m1/s1
InChIKeyONAQCFPXMLAQNP-CYBMUJFWSA-N
MW317.39 g/mol
LogP0.36
Rot. Bonds3

About (3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione

(3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione (PubChem CID 7340873) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione
PubChem CID7340873
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@@H](N2CCN(c3nc(C)cc(C)n3)CC2)C1=O
InChIInChI=1S/C16H23N5O2/c1-4-21-14(22)10-13(15(21)23)19-5-7-20(8-6-19)16-17-11(2)9-12(3)18-16/h9,13H,4-8,10H2,1-3H3/t13-/m1/s1
InChIKeyONAQCFPXMLAQNP-CYBMUJFWSA-N
XLogP0.36
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione with MolForge

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Related Compounds

(3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1221385
ethyl 4-[(3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 41284744
(3S)-1-ethyl-3-[4-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 7348191
4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one
CID 70099982
(3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358164
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 1258791
bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 150598584
(3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 978676
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 66509632
(3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2689096
(3S)-1-(3-methylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1115570

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione (CID 7340873) is (3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione is CCN1C(=O)C[C@@H](N2CCN(c3nc(C)cc(C)n3)CC2)C1=O.
What is the InChIKey of (3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione?
The InChIKey is ONAQCFPXMLAQNP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-21-14(22)10-13(15(21)23)19-5-7-20(8-6-19)16-17-11(2)9-12(3)18-16/h9,13H,4-8,10H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione?
(3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione has a molecular weight of 317.39 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 7340873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).