1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione

C13H17N5O2 — CID 2641575

IUPAC1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H17N5O2/c19-11-2-3-12(20)18(11)10-16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1,4-5H,2-3,6-10H2
InChIKeyFJKWJWJZAHVDON-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.29
Rot. Bonds3

About 1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione

1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 2641575) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
PubChem CID2641575
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H17N5O2/c19-11-2-3-12(20)18(11)10-16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1,4-5H,2-3,6-10H2
InChIKeyFJKWJWJZAHVDON-UHFFFAOYSA-N
XLogP-0.29
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Eptapirone
CID 208928
Sunepitron
CID 183092
4-Oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butanoic acid
CID 2815239
8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
2-[2-(3-Fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 72793651
Sunepitron Hydrochloride
CID 6918176
2-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butyl]-2-azaspiro[4.5]decane-1,3-dione
CID 12840712
1,5-Dimethyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12840720
N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide
CID 25269413
1-Pyrimidin-2-ylpyrrolidine-2,5-dione
CID 78323764
1-Pyrimidin-2-ylpiperidine-2,6-dione
CID 78323765
2,2,2-Trifluoro-1-(4-(pyrimidin-2-yl)piperazin-1-yl)ethan-1-one
CID 753091

Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione (CID 2641575) is 1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is FJKWJWJZAHVDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c19-11-2-3-12(20)18(11)10-16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1,4-5H,2-3,6-10H2.
What are the key properties of 1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 275.31 g/mol, XLogP of -0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2641575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).