1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone

C11H20N4O — CID 130244789

IUPAC1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2N=CC(C)CN2)CC1
InChIInChI=1S/C11H20N4O/c1-9-7-12-11(13-8-9)15-5-3-14(4-6-15)10(2)16/h7,9,11,13H,3-6,8H2,1-2H3
InChIKeyLUIZHDBOFHSWJO-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.26
Rot. Bonds1

About 1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone

1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 130244789) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID130244789
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2N=CC(C)CN2)CC1
InChIInChI=1S/C11H20N4O/c1-9-7-12-11(13-8-9)15-5-3-14(4-6-15)10(2)16/h7,9,11,13H,3-6,8H2,1-2H3
InChIKeyLUIZHDBOFHSWJO-UHFFFAOYSA-N
XLogP-0.26
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone (CID 130244789) is 1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C2N=CC(C)CN2)CC1.
What is the InChIKey of 1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is LUIZHDBOFHSWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-7-12-11(13-8-9)15-5-3-14(4-6-15)10(2)16/h7,9,11,13H,3-6,8H2,1-2H3.
What are the key properties of 1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone?
1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 224.31 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,2,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 130244789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).