(3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione

C19H21N5O2 — CID 9232425

IUPAC(3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](c2ccccc2)C(=O)N1CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H21N5O2/c25-17-13-16(15-5-2-1-3-6-15)18(26)24(17)14-22-9-11-23(12-10-22)19-20-7-4-8-21-19/h1-8,16H,9-14H2/t16-/m0/s1
InChIKeyBSTPIYFMZFRKLU-INIZCTEOSA-N
MW351.41 g/mol
LogP1.10
Rot. Bonds4

About (3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione

(3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 9232425) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
PubChem CID9232425
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](c2ccccc2)C(=O)N1CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H21N5O2/c25-17-13-16(15-5-2-1-3-6-15)18(26)24(17)14-22-9-11-23(12-10-22)19-20-7-4-8-21-19/h1-8,16H,9-14H2/t16-/m0/s1
InChIKeyBSTPIYFMZFRKLU-INIZCTEOSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.10
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

3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
CID 70697297
3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 134109848
3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
CID 10551755
1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione
CID 106288752
(3R)-1-(2-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 7241534
1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118740873
3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.2.0]heptane-2,4-dione;hydrochloride
CID 23315265
(5R,9S)-7,7,9-trimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9452779
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 42631096
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione
CID 115319957
1-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazine-3,6-dione
CID 2755061
(1S,2R,6S,7R,8S,11R)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 21124263

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione (CID 9232425) is (3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione is O=C1C[C@@H](c2ccccc2)C(=O)N1CN1CCN(c2ncccn2)CC1.
What is the InChIKey of (3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is BSTPIYFMZFRKLU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-17-13-16(15-5-2-1-3-6-15)18(26)24(17)14-22-9-11-23(12-10-22)19-20-7-4-8-21-19/h1-8,16H,9-14H2/t16-/m0/s1.
What are the key properties of (3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
(3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 351.41 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 9232425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).