1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione

C17H23N5O4 — CID 129355975

IUPAC1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(C(=O)N2CC[C@@H](Oc3nc(C)cc(C)n3)C2)C(=O)C1=O
InChIInChI=1S/C17H23N5O4/c1-4-20-7-8-22(15(24)14(20)23)17(25)21-6-5-13(10-21)26-16-18-11(2)9-12(3)19-16/h9,13H,4-8,10H2,1-3H3/t13-/m1/s1
InChIKeyRXCCYTAWXYCAHL-CYBMUJFWSA-N
MW361.40 g/mol
LogP0.36
Rot. Bonds3

About 1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione

1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione (PubChem CID 129355975) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione
PubChem CID129355975
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(C(=O)N2CC[C@@H](Oc3nc(C)cc(C)n3)C2)C(=O)C1=O
InChIInChI=1S/C17H23N5O4/c1-4-20-7-8-22(15(24)14(20)23)17(25)21-6-5-13(10-21)26-16-18-11(2)9-12(3)19-16/h9,13H,4-8,10H2,1-3H3/t13-/m1/s1
InChIKeyRXCCYTAWXYCAHL-CYBMUJFWSA-N
XLogP0.36
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione
CID 90636347
1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione
CID 122261053
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione
CID 122243521
[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl] acetate
CID 122267162
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 121017568
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 122258109
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 121017580
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121017571
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129355047
3-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-8-methoxychromen-2-one
CID 121017574
3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid
CID 67143904
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129356021

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione?
The IUPAC name of 1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione (CID 129355975) is 1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione.
What is the SMILES notation for 1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione?
The canonical SMILES for 1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione is CCN1CCN(C(=O)N2CC[C@@H](Oc3nc(C)cc(C)n3)C2)C(=O)C1=O.
What is the InChIKey of 1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione?
The InChIKey is RXCCYTAWXYCAHL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-4-20-7-8-22(15(24)14(20)23)17(25)21-6-5-13(10-21)26-16-18-11(2)9-12(3)19-16/h9,13H,4-8,10H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione?
1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione has a molecular weight of 361.40 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 1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione is sourced from PubChem (CID 129355975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).