4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one

C11H18N4OS — CID 136925290

IUPAC4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCCSCc1cc(=O)[nH]c(N2CCNCC2)n1
InChIInChI=1S/C11H18N4OS/c1-2-17-8-9-7-10(16)14-11(13-9)15-5-3-12-4-6-15/h7,12H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyCRURBSVFJXAYPH-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.43
Rot. Bonds4

About 4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one

4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 136925290) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID136925290
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCCSCc1cc(=O)[nH]c(N2CCNCC2)n1
InChIInChI=1S/C11H18N4OS/c1-2-17-8-9-7-10(16)14-11(13-9)15-5-3-12-4-6-15/h7,12H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyCRURBSVFJXAYPH-UHFFFAOYSA-N
XLogP0.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 135629231
2-[4-(4-aminophenyl)piperazin-1-yl]-4-(propylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136925297
2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one
CID 136740823
4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 136923018
4-(difluoromethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride
CID 155941200
4-(chloromethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135978506
2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one
CID 135456330
4-(ethylaminomethyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 135978215
4-(ethylsulfanylmethyl)-2-(2-methylpropylsulfanyl)-1H-pyrimidin-6-one
CID 136686635
4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135978265
2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-ethyl-1H-pyrimidin-6-one
CID 135764000
2-(6-aminohexylamino)-4-(ethylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136925294

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one (CID 136925290) is 4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one is CCSCc1cc(=O)[nH]c(N2CCNCC2)n1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is CRURBSVFJXAYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-17-8-9-7-10(16)14-11(13-9)15-5-3-12-4-6-15/h7,12H,2-6,8H2,1H3,(H,13,14,16).
What are the key properties of 4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one?
4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 254.36 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136925290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).