4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine

C8H9ClN2O3S — CID 142062219

IUPAC4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine
SMILESCS(=O)(=O)c1nc(Cl)c2c(n1)CCCO2
InChIInChI=1S/C8H9ClN2O3S/c1-15(12,13)8-10-5-3-2-4-14-6(5)7(9)11-8/h2-4H2,1H3
InChIKeyICYIOTZRNRKEMZ-UHFFFAOYSA-N
MW248.69 g/mol
LogP0.86
Rot. Bonds1

About 4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine

4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine (PubChem CID 142062219) has the molecular formula C8H9ClN2O3S and a molecular weight of 248.69 g/mol. Its IUPAC name is 4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine
PubChem CID142062219
Molecular FormulaC8H9ClN2O3S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC Name4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine
SMILESCS(=O)(=O)c1nc(Cl)c2c(n1)CCCO2
InChIInChI=1S/C8H9ClN2O3S/c1-15(12,13)8-10-5-3-2-4-14-6(5)7(9)11-8/h2-4H2,1H3
InChIKeyICYIOTZRNRKEMZ-UHFFFAOYSA-N
XLogP0.86
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine (CID 142062219) is 4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine is CS(=O)(=O)c1nc(Cl)c2c(n1)CCCO2.
What is the InChIKey of 4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine?
The InChIKey is ICYIOTZRNRKEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3S/c1-15(12,13)8-10-5-3-2-4-14-6(5)7(9)11-8/h2-4H2,1H3.
What are the key properties of 4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine?
4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine has a molecular weight of 248.69 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine is sourced from PubChem (CID 142062219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).