1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione

C13H18N4O2 — CID 64967691

IUPAC1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2ccnc(C)n2)C1=O
InChIInChI=1S/C13H18N4O2/c1-3-4-11-13(19)17(8-12(18)16-11)7-10-5-6-14-9(2)15-10/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyGWUIUQCKPHTKTE-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.41
Rot. Bonds4

About 1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione

1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 64967691) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID64967691
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2ccnc(C)n2)C1=O
InChIInChI=1S/C13H18N4O2/c1-3-4-11-13(19)17(8-12(18)16-11)7-10-5-6-14-9(2)15-10/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyGWUIUQCKPHTKTE-UHFFFAOYSA-N
XLogP0.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 81174153
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64879792
1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
CID 102879797
1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880938
1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 114934698
1-[(4,5-dimethylthiophen-2-yl)methyl]-3-propylpiperazine-2,5-dione
CID 65244542
1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one
CID 115370501
1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777847
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982
3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64880362
(3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
CID 95354948
1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64878854

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione (CID 64967691) is 1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(Cc2ccnc(C)n2)C1=O.
What is the InChIKey of 1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is GWUIUQCKPHTKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-4-11-13(19)17(8-12(18)16-11)7-10-5-6-14-9(2)15-10/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione?
1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64967691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).