2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

C16H20N4O4S — CID 137169212

IUPAC2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(=O)[nH]3)CC2)cc1
InChIInChI=1S/C16H20N4O4S/c1-12-11-15(21)18-16(17-12)19-7-9-20(10-8-19)25(22,23)14-5-3-13(24-2)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,17,18,21)
InChIKeyCKAXAKLKSZIHFX-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.60
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137169212) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137169212
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(=O)[nH]3)CC2)cc1
InChIInChI=1S/C16H20N4O4S/c1-12-11-15(21)18-16(17-12)19-7-9-20(10-8-19)25(22,23)14-5-3-13(24-2)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,17,18,21)
InChIKeyCKAXAKLKSZIHFX-UHFFFAOYSA-N
XLogP0.60
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one
CID 137058270
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,7-dimethyl-1,3-benzothiazole
CID 16937364
5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 162633164
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135536917
4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 90517128

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 137169212) is 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is COc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(=O)[nH]3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CKAXAKLKSZIHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-12-11-15(21)18-16(17-12)19-7-9-20(10-8-19)25(22,23)14-5-3-13(24-2)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,17,18,21).
What are the key properties of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 364.43 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137169212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).