4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione

C10H12N4O6S — CID 66075015

IUPAC4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H12N4O6S/c1-10(2)8(17)12-6(15)4-14(10)21(19,20)5-3-11-9(18)13-7(5)16/h3H,4H2,1-2H3,(H,12,15,17)(H2,11,13,16,18)
InChIKeyOJIRPMYWMXJMCT-UHFFFAOYSA-N
MW316.30 g/mol
LogP-2.51
Rot. Bonds2

About 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione

4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66075015) has the molecular formula C10H12N4O6S and a molecular weight of 316.30 g/mol. Its IUPAC name is 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione
PubChem CID66075015
Molecular FormulaC10H12N4O6S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H12N4O6S/c1-10(2)8(17)12-6(15)4-14(10)21(19,20)5-3-11-9(18)13-7(5)16/h3H,4H2,1-2H3,(H,12,15,17)(H2,11,13,16,18)
InChIKeyOJIRPMYWMXJMCT-UHFFFAOYSA-N
XLogP-2.51
TPSA149.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 5-2.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione (CID 66075015) is 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is OJIRPMYWMXJMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O6S/c1-10(2)8(17)12-6(15)4-14(10)21(19,20)5-3-11-9(18)13-7(5)16/h3H,4H2,1-2H3,(H,12,15,17)(H2,11,13,16,18).
What are the key properties of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione?
4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 316.30 g/mol, XLogP of -2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66075015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).