6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione

C13H16N4O2 — CID 64881486

IUPAC6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1Cc1ncccn1
InChIInChI=1S/C13H16N4O2/c1-13(9-3-4-9)12(19)16-7-11(18)17(13)8-10-14-5-2-6-15-10/h2,5-6,9H,3-4,7-8H2,1H3,(H,16,19)
InChIKeyQFZQQDKXEOCPSP-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.10
Rot. Bonds3

About 6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione

6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64881486) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
PubChem CID64881486
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1Cc1ncccn1
InChIInChI=1S/C13H16N4O2/c1-13(9-3-4-9)12(19)16-7-11(18)17(13)8-10-14-5-2-6-15-10/h2,5-6,9H,3-4,7-8H2,1H3,(H,16,19)
InChIKeyQFZQQDKXEOCPSP-UHFFFAOYSA-N
XLogP0.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879939
6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879551
1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64881292
6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879937
6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione
CID 80697163
6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 107310580
1-[(5-bromo-3-pyridinyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 104812786
1-[(E)-but-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107898411
6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902417
6-cyclopropyl-6-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141996
1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 102620919
6-cyclopropyl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione
CID 64879359

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione (CID 64881486) is 6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione is CC1(C2CC2)C(=O)NCC(=O)N1Cc1ncccn1.
What is the InChIKey of 6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is QFZQQDKXEOCPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(9-3-4-9)12(19)16-7-11(18)17(13)8-10-14-5-2-6-15-10/h2,5-6,9H,3-4,7-8H2,1H3,(H,16,19).
What are the key properties of 6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 260.30 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64881486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).