4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one

C10H14N4O4S — CID 137147367

IUPAC4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C10H14N4O4S/c1-19(17,18)14-4-2-13(3-5-14)10(16)8-6-9(15)12-7-11-8/h6-7H,2-5H2,1H3,(H,11,12,15)
InChIKeySKBWGQXGPJHMGM-UHFFFAOYSA-N
MW286.31 g/mol
LogP-1.51
Rot. Bonds2

About 4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one

4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 137147367) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID137147367
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C10H14N4O4S/c1-19(17,18)14-4-2-13(3-5-14)10(16)8-6-9(15)12-7-11-8/h6-7H,2-5H2,1H3,(H,11,12,15)
InChIKeySKBWGQXGPJHMGM-UHFFFAOYSA-N
XLogP-1.51
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 137147273
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147286
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147289
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147424
ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate
CID 137147280
(4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 75538104
(3,5-dibromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 103907500
cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid
CID 175268591
4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 154583725
(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 106550918
(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61042497
4-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 167323552

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one (CID 137147367) is 4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one is CS(=O)(=O)N1CCN(C(=O)c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is SKBWGQXGPJHMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S/c1-19(17,18)14-4-2-13(3-5-14)10(16)8-6-9(15)12-7-11-8/h6-7H,2-5H2,1H3,(H,11,12,15).
What are the key properties of 4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 286.31 g/mol, XLogP of -1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137147367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).