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

C5H7N3O4S — CID 43173134

IUPACN-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H7N3O4S/c1-6-13(11,12)3-2-7-5(10)8-4(3)9/h2,6H,1H3,(H2,7,8,9,10)
InChIKeyPKIRXZLODYGLKC-UHFFFAOYSA-N
MW205.19 g/mol
LogP-2.03
Rot. Bonds2

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

N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 43173134) has the molecular formula C5H7N3O4S and a molecular weight of 205.19 g/mol. Its IUPAC name is N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID43173134
Molecular FormulaC5H7N3O4S
Molecular Weight205.19 g/mol
Exact Mass205.02
IUPAC NameN-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H7N3O4S/c1-6-13(11,12)3-2-7-5(10)8-4(3)9/h2,6H,1H3,(H2,7,8,9,10)
InChIKeyPKIRXZLODYGLKC-UHFFFAOYSA-N
XLogP-2.03
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 43173134) is N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is PKIRXZLODYGLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O4S/c1-6-13(11,12)3-2-7-5(10)8-4(3)9/h2,6H,1H3,(H2,7,8,9,10).
What are the key properties of N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 205.19 g/mol, XLogP of -2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 43173134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).