4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one

C12H18N4O — CID 75482794

IUPAC4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one
SMILESCCCC1C(=O)NCCN1c1nccc(C)n1
InChIInChI=1S/C12H18N4O/c1-3-4-10-11(17)13-7-8-16(10)12-14-6-5-9(2)15-12/h5-6,10H,3-4,7-8H2,1-2H3,(H,13,17)
InChIKeyJHXYHTOIRHKGHM-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.89
Rot. Bonds3

About 4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one

4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one (PubChem CID 75482794) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one
PubChem CID75482794
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one
SMILESCCCC1C(=O)NCCN1c1nccc(C)n1
InChIInChI=1S/C12H18N4O/c1-3-4-10-11(17)13-7-8-16(10)12-14-6-5-9(2)15-12/h5-6,10H,3-4,7-8H2,1-2H3,(H,13,17)
InChIKeyJHXYHTOIRHKGHM-UHFFFAOYSA-N
XLogP0.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one?
The IUPAC name of 4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one (CID 75482794) is 4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one.
What is the SMILES notation for 4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one?
The canonical SMILES for 4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one is CCCC1C(=O)NCCN1c1nccc(C)n1.
What is the InChIKey of 4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one?
The InChIKey is JHXYHTOIRHKGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-4-10-11(17)13-7-8-16(10)12-14-6-5-9(2)15-12/h5-6,10H,3-4,7-8H2,1-2H3,(H,13,17).
What are the key properties of 4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one?
4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one is sourced from PubChem (CID 75482794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).