1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one

C13H19N5O — CID 24845643

IUPAC1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one
SMILESCN1CCN(c2nccc(N3CCCC3=O)n2)CC1
InChIInChI=1S/C13H19N5O/c1-16-7-9-17(10-8-16)13-14-5-4-11(15-13)18-6-2-3-12(18)19/h4-5H,2-3,6-10H2,1H3
InChIKeyDRIZYBYBTZCZMG-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.36
Rot. Bonds2

About 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one

1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one (PubChem CID 24845643) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one
PubChem CID24845643
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one
SMILESCN1CCN(c2nccc(N3CCCC3=O)n2)CC1
InChIInChI=1S/C13H19N5O/c1-16-7-9-17(10-8-16)13-14-5-4-11(15-13)18-6-2-3-12(18)19/h4-5H,2-3,6-10H2,1H3
InChIKeyDRIZYBYBTZCZMG-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one (CID 24845643) is 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one is CN1CCN(c2nccc(N3CCCC3=O)n2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one?
The InChIKey is DRIZYBYBTZCZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-16-7-9-17(10-8-16)13-14-5-4-11(15-13)18-6-2-3-12(18)19/h4-5H,2-3,6-10H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one?
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one has a molecular weight of 261.33 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 24845643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).