2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine

C8H10N2O6S2 — CID 170918289

IUPAC2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
SMILESCS(=O)(=O)c1nc2c(c(S(C)(=O)=O)n1)OCCO2
InChIInChI=1S/C8H10N2O6S2/c1-17(11,12)7-5-6(16-4-3-15-5)9-8(10-7)18(2,13)14/h3-4H2,1-2H3
InChIKeyVJDZYIBYNFHLLS-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.95
Rot. Bonds2

About 2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine

2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine (PubChem CID 170918289) has the molecular formula C8H10N2O6S2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
PubChem CID170918289
Molecular FormulaC8H10N2O6S2
Molecular Weight294.31 g/mol
Exact Mass294.00
IUPAC Name2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
SMILESCS(=O)(=O)c1nc2c(c(S(C)(=O)=O)n1)OCCO2
InChIInChI=1S/C8H10N2O6S2/c1-17(11,12)7-5-6(16-4-3-15-5)9-8(10-7)18(2,13)14/h3-4H2,1-2H3
InChIKeyVJDZYIBYNFHLLS-UHFFFAOYSA-N
XLogP-0.95
TPSA112.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine?
The IUPAC name of 2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine (CID 170918289) is 2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine?
The canonical SMILES for 2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine is CS(=O)(=O)c1nc2c(c(S(C)(=O)=O)n1)OCCO2.
What is the InChIKey of 2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine?
The InChIKey is VJDZYIBYNFHLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O6S2/c1-17(11,12)7-5-6(16-4-3-15-5)9-8(10-7)18(2,13)14/h3-4H2,1-2H3.
What are the key properties of 2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine?
2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine has a molecular weight of 294.31 g/mol, XLogP of -0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methylsulfonyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine is sourced from PubChem (CID 170918289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).