1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone

C11H18N4O — CID 90453658

IUPAC1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2=CC(C)N=CN2)CC1
InChIInChI=1S/C11H18N4O/c1-9-7-11(13-8-12-9)15-5-3-14(4-6-15)10(2)16/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyZLRSWRAYMZNZMT-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.01
Rot. Bonds1

About 1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone

1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone (PubChem CID 90453658) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone
PubChem CID90453658
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2=CC(C)N=CN2)CC1
InChIInChI=1S/C11H18N4O/c1-9-7-11(13-8-12-9)15-5-3-14(4-6-15)10(2)16/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyZLRSWRAYMZNZMT-UHFFFAOYSA-N
XLogP0.01
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone (CID 90453658) is 1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C2=CC(C)N=CN2)CC1.
What is the InChIKey of 1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone?
The InChIKey is ZLRSWRAYMZNZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9-7-11(13-8-12-9)15-5-3-14(4-6-15)10(2)16/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone?
1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone has a molecular weight of 222.29 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 90453658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).