4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

C8H9ClFN3O2S — CID 79081645

IUPAC4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(Cl)ncc2F)CC1
InChIInChI=1S/C8H9ClFN3O2S/c9-8-11-5-6(10)7(12-8)13-1-3-16(14,15)4-2-13/h5H,1-4H2
InChIKeyZFYDPACSLJRZDD-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.50
Rot. Bonds1

About 4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 79081645) has the molecular formula C8H9ClFN3O2S and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID79081645
Molecular FormulaC8H9ClFN3O2S
Molecular Weight265.70 g/mol
Exact Mass265.01
IUPAC Name4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(Cl)ncc2F)CC1
InChIInChI=1S/C8H9ClFN3O2S/c9-8-11-5-6(10)7(12-8)13-1-3-16(14,15)4-2-13/h5H,1-4H2
InChIKeyZFYDPACSLJRZDD-UHFFFAOYSA-N
XLogP0.50
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide with MolForge

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

Launch Full Analysis

Related Compounds

US10058550, Example 676.0
CID 122701357
5-Bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine
CID 134150012
5-Bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 134157397
5-(Isopropylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778668
5-Propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 2746099
N,N-dimethyl-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 75507839
5-[(1,1-dioxidothiomorpholin-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
CID 77080738
5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
CID 136519674
4-(2-Chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 54478754
4-(5-Fluoro-2-piperazin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 54549819
[4-(Dimethylaminomethylideneamino)-5-fluoropyrimidin-2-yl] methanesulfonate
CID 57818847
[4-(Dimethylaminomethylideneamino)-5-fluoropyrimidin-2-yl] propane-1-sulfonate
CID 57819259

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 79081645) is 4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2nc(Cl)ncc2F)CC1.
What is the InChIKey of 4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZFYDPACSLJRZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3O2S/c9-8-11-5-6(10)7(12-8)13-1-3-16(14,15)4-2-13/h5H,1-4H2.
What are the key properties of 4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 265.70 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 79081645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).