4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide

C10H13N3O4S — CID 19091288

IUPAC4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide
SMILESC=CCOc1ncnc(OCC=C)c1S(N)(=O)=O
InChIInChI=1S/C10H13N3O4S/c1-3-5-16-9-8(18(11,14)15)10(13-7-12-9)17-6-4-2/h3-4,7H,1-2,5-6H2,(H2,11,14,15)
InChIKeyLZEJFZOPSHMJHF-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.25
Rot. Bonds7

About 4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide

4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide (PubChem CID 19091288) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide
PubChem CID19091288
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide
SMILESC=CCOc1ncnc(OCC=C)c1S(N)(=O)=O
InChIInChI=1S/C10H13N3O4S/c1-3-5-16-9-8(18(11,14)15)10(13-7-12-9)17-6-4-2/h3-4,7H,1-2,5-6H2,(H2,11,14,15)
InChIKeyLZEJFZOPSHMJHF-UHFFFAOYSA-N
XLogP0.25
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide?
The IUPAC name of 4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide (CID 19091288) is 4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide.
What is the SMILES notation for 4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide?
The canonical SMILES for 4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide is C=CCOc1ncnc(OCC=C)c1S(N)(=O)=O.
What is the InChIKey of 4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide?
The InChIKey is LZEJFZOPSHMJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-3-5-16-9-8(18(11,14)15)10(13-7-12-9)17-6-4-2/h3-4,7H,1-2,5-6H2,(H2,11,14,15).
What are the key properties of 4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide?
4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide has a molecular weight of 271.30 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide is sourced from PubChem (CID 19091288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).