N-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C7H12N4O4S — CID 62686616

IUPACN-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCN(CCN)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O4S/c1-11(3-2-8)16(14,15)5-4-9-7(13)10-6(5)12/h4H,2-3,8H2,1H3,(H2,9,10,12,13)
InChIKeyYSLOTHPOYLRNKR-UHFFFAOYSA-N
MW248.26 g/mol
LogP-2.36
Rot. Bonds4

About N-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 62686616) has the molecular formula C7H12N4O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID62686616
Molecular FormulaC7H12N4O4S
Molecular Weight248.26 g/mol
Exact Mass248.06
IUPAC NameN-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCN(CCN)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O4S/c1-11(3-2-8)16(14,15)5-4-9-7(13)10-6(5)12/h4H,2-3,8H2,1H3,(H2,9,10,12,13)
InChIKeyYSLOTHPOYLRNKR-UHFFFAOYSA-N
XLogP-2.36
TPSA129.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-2.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 62686616) is N-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is CN(CCN)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is YSLOTHPOYLRNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4S/c1-11(3-2-8)16(14,15)5-4-9-7(13)10-6(5)12/h4H,2-3,8H2,1H3,(H2,9,10,12,13).
What are the key properties of N-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 248.26 g/mol, XLogP of -2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 62686616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).