2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide

C10H13N3O4S — CID 21008159

IUPAC2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H13N3O4S/c1-3-5-13(6-4-2)18(16,17)8-7-11-10(15)12-9(8)14/h3-4,7H,1-2,5-6H2,(H2,11,12,14,15)
InChIKeyRWTQLXOEGAJOBA-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.57
Rot. Bonds6

About 2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide

2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide (PubChem CID 21008159) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide
PubChem CID21008159
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H13N3O4S/c1-3-5-13(6-4-2)18(16,17)8-7-11-10(15)12-9(8)14/h3-4,7H,1-2,5-6H2,(H2,11,12,14,15)
InChIKeyRWTQLXOEGAJOBA-UHFFFAOYSA-N
XLogP-0.57
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide?
The IUPAC name of 2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide (CID 21008159) is 2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for 2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for 2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide is C=CCN(CC=C)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide?
The InChIKey is RWTQLXOEGAJOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-3-5-13(6-4-2)18(16,17)8-7-11-10(15)12-9(8)14/h3-4,7H,1-2,5-6H2,(H2,11,12,14,15).
What are the key properties of 2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide?
2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide has a molecular weight of 271.30 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 21008159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).