4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide

C12H17N5O6S — CID 25269754

IUPAC4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide
SMILESCOc1cc(OC)nc(N2C(=O)CN(S(=O)(=O)N(C)C)CC2=O)n1
InChIInChI=1S/C12H17N5O6S/c1-15(2)24(20,21)16-6-10(18)17(11(19)7-16)12-13-8(22-3)5-9(14-12)23-4/h5H,6-7H2,1-4H3
InChIKeyULLKEYOKRIRLBL-UHFFFAOYSA-N
MW359.36 g/mol
LogP-1.52
Rot. Bonds5

About 4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide

4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide (PubChem CID 25269754) has the molecular formula C12H17N5O6S and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide
PubChem CID25269754
Molecular FormulaC12H17N5O6S
Molecular Weight359.36 g/mol
Exact Mass359.09
IUPAC Name4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide
SMILESCOc1cc(OC)nc(N2C(=O)CN(S(=O)(=O)N(C)C)CC2=O)n1
InChIInChI=1S/C12H17N5O6S/c1-15(2)24(20,21)16-6-10(18)17(11(19)7-16)12-13-8(22-3)5-9(14-12)23-4/h5H,6-7H2,1-4H3
InChIKeyULLKEYOKRIRLBL-UHFFFAOYSA-N
XLogP-1.52
TPSA122.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide (CID 25269754) is 4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide.
What is the SMILES notation for 4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The canonical SMILES for 4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide is COc1cc(OC)nc(N2C(=O)CN(S(=O)(=O)N(C)C)CC2=O)n1.
What is the InChIKey of 4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
The InChIKey is ULLKEYOKRIRLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O6S/c1-15(2)24(20,21)16-6-10(18)17(11(19)7-16)12-13-8(22-3)5-9(14-12)23-4/h5H,6-7H2,1-4H3.
What are the key properties of 4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide?
4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide has a molecular weight of 359.36 g/mol, XLogP of -1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide is sourced from PubChem (CID 25269754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).