N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C11H20N4O4S — CID 79667611

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCCN(CC(C)(C)CN)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O4S/c1-4-15(7-11(2,3)6-12)20(18,19)8-5-13-10(17)14-9(8)16/h5H,4,6-7,12H2,1-3H3,(H2,13,14,16,17)
InChIKeyVIJYRSIZKDLVDE-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.94
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 79667611) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID79667611
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCCN(CC(C)(C)CN)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O4S/c1-4-15(7-11(2,3)6-12)20(18,19)8-5-13-10(17)14-9(8)16/h5H,4,6-7,12H2,1-3H3,(H2,13,14,16,17)
InChIKeyVIJYRSIZKDLVDE-UHFFFAOYSA-N
XLogP-0.94
TPSA129.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 79667611) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is CCN(CC(C)(C)CN)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is VIJYRSIZKDLVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-4-15(7-11(2,3)6-12)20(18,19)8-5-13-10(17)14-9(8)16/h5H,4,6-7,12H2,1-3H3,(H2,13,14,16,17).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 304.37 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 79667611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).