1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone

C12H18N4O2S — CID 47340567

IUPAC1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone
SMILESCOc1ccnc(N2CCN(C(=O)CSC)CC2)n1
InChIInChI=1S/C12H18N4O2S/c1-18-10-3-4-13-12(14-10)16-7-5-15(6-8-16)11(17)9-19-2/h3-4H,5-9H2,1-2H3
InChIKeyIYTGZCHQQNPLLR-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.50
Rot. Bonds4

About 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone

1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone (PubChem CID 47340567) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone
PubChem CID47340567
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone
SMILESCOc1ccnc(N2CCN(C(=O)CSC)CC2)n1
InChIInChI=1S/C12H18N4O2S/c1-18-10-3-4-13-12(14-10)16-7-5-15(6-8-16)11(17)9-19-2/h3-4H,5-9H2,1-2H3
InChIKeyIYTGZCHQQNPLLR-UHFFFAOYSA-N
XLogP0.50
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 26034925
2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 26436780
2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 47073311
2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 47528270
1-(2-Ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 48558781
1-[2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 53511842
1-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 53518200
4-[4-(4-Methoxypyrimidin-2-yl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 53524134
3-[4-(4-Ethoxypyrimidin-2-yl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 53574462
1-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 56807292
N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide
CID 136548989
2-(4-Methanesulfonylpiperazin-1-yl)-4-methoxypyrimidine
CID 27306376

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone?
The IUPAC name of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone (CID 47340567) is 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone.
What is the SMILES notation for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone?
The canonical SMILES for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone is COc1ccnc(N2CCN(C(=O)CSC)CC2)n1.
What is the InChIKey of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone?
The InChIKey is IYTGZCHQQNPLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-18-10-3-4-13-12(14-10)16-7-5-15(6-8-16)11(17)9-19-2/h3-4H,5-9H2,1-2H3.
What are the key properties of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone?
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone has a molecular weight of 282.37 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone is sourced from PubChem (CID 47340567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).