4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

C10H14ClN3O2S — CID 13393633

IUPAC4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1nc(Cl)c(C)c(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H14ClN3O2S/c1-7-9(11)12-8(2)13-10(7)14-3-5-17(15,16)6-4-14/h3-6H2,1-2H3
InChIKeyHMMGQJTZOLQHRV-UHFFFAOYSA-N
MW275.76 g/mol
LogP0.98
Rot. Bonds1

About 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 13393633) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID13393633
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1nc(Cl)c(C)c(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H14ClN3O2S/c1-7-9(11)12-8(2)13-10(7)14-3-5-17(15,16)6-4-14/h3-6H2,1-2H3
InChIKeyHMMGQJTZOLQHRV-UHFFFAOYSA-N
XLogP0.98
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 13393633) is 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is Cc1nc(Cl)c(C)c(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is HMMGQJTZOLQHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-7-9(11)12-8(2)13-10(7)14-3-5-17(15,16)6-4-14/h3-6H2,1-2H3.
What are the key properties of 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 275.76 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 13393633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).