1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone

C15H18N4O3S — CID 136540505

IUPAC1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone
SMILESCOc1cc(N2CCN(C(=O)COc3ccsc3)CC2)ncn1
InChIInChI=1S/C15H18N4O3S/c1-21-14-8-13(16-11-17-14)18-3-5-19(6-4-18)15(20)9-22-12-2-7-23-10-12/h2,7-8,10-11H,3-6,9H2,1H3
InChIKeyJBSUOSNYKDOTCW-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.27
Rot. Bonds5

About 1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone

1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone (PubChem CID 136540505) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone.

Molecular Properties

Compound Name1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone
PubChem CID136540505
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone
SMILESCOc1cc(N2CCN(C(=O)COc3ccsc3)CC2)ncn1
InChIInChI=1S/C15H18N4O3S/c1-21-14-8-13(16-11-17-14)18-3-5-19(6-4-18)15(20)9-22-12-2-7-23-10-12/h2,7-8,10-11H,3-6,9H2,1H3
InChIKeyJBSUOSNYKDOTCW-UHFFFAOYSA-N
XLogP1.27
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122332287
2-(3-methoxyphenoxy)-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343448
2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343340
2-(4-ethoxyphenoxy)-1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 121106901
2-(3,4-dimethylphenoxy)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 108755384
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 16883365
2-(4-methoxyphenoxy)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349495
2-(4-chloro-3-methylphenoxy)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 108755381
1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122343519
1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 42806325
2-(2-methoxy-4-methylphenoxy)-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 56764814
2-(2-methoxyphenoxy)-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90516931

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone?
The IUPAC name of 1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone (CID 136540505) is 1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone.
What is the SMILES notation for 1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone?
The canonical SMILES for 1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone is COc1cc(N2CCN(C(=O)COc3ccsc3)CC2)ncn1.
What is the InChIKey of 1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone?
The InChIKey is JBSUOSNYKDOTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-21-14-8-13(16-11-17-14)18-3-5-19(6-4-18)15(20)9-22-12-2-7-23-10-12/h2,7-8,10-11H,3-6,9H2,1H3.
What are the key properties of 1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone?
1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone has a molecular weight of 334.40 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-yloxyethanone is sourced from PubChem (CID 136540505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).