N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide

C10H13N5O4S — CID 25269413

IUPACN,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(=O)N(c2ncccn2)C(=O)C1
InChIInChI=1S/C10H13N5O4S/c1-13(2)20(18,19)14-6-8(16)15(9(17)7-14)10-11-4-3-5-12-10/h3-5H,6-7H2,1-2H3
InChIKeyPQIRMEBPDULLGP-UHFFFAOYSA-N
MW299.31 g/mol
LogP-1.54
Rot. Bonds3

About N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide

N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide (PubChem CID 25269413) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide
PubChem CID25269413
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC NameN,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(=O)N(c2ncccn2)C(=O)C1
InChIInChI=1S/C10H13N5O4S/c1-13(2)20(18,19)14-6-8(16)15(9(17)7-14)10-11-4-3-5-12-10/h3-5H,6-7H2,1-2H3
InChIKeyPQIRMEBPDULLGP-UHFFFAOYSA-N
XLogP-1.54
TPSA103.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
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 N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide (CID 25269413) is N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CC(=O)N(c2ncccn2)C(=O)C1.
What is the InChIKey of N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide?
The InChIKey is PQIRMEBPDULLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c1-13(2)20(18,19)14-6-8(16)15(9(17)7-14)10-11-4-3-5-12-10/h3-5H,6-7H2,1-2H3.
What are the key properties of N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide?
N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide has a molecular weight of 299.31 g/mol, XLogP of -1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 25269413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).