4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

C8H8Cl2FN3O2S — CID 71615502

IUPAC4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(Cl)nc(Cl)c2F)CC1
InChIInChI=1S/C8H8Cl2FN3O2S/c9-6-5(11)7(13-8(10)12-6)14-1-3-17(15,16)4-2-14/h1-4H2
InChIKeyJDHQTFBCDVZMNW-UHFFFAOYSA-N
MW300.14 g/mol
LogP1.16
Rot. Bonds1

About 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 71615502) has the molecular formula C8H8Cl2FN3O2S and a molecular weight of 300.14 g/mol. Its IUPAC name is 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID71615502
Molecular FormulaC8H8Cl2FN3O2S
Molecular Weight300.14 g/mol
Exact Mass298.97
IUPAC Name4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(Cl)nc(Cl)c2F)CC1
InChIInChI=1S/C8H8Cl2FN3O2S/c9-6-5(11)7(13-8(10)12-6)14-1-3-17(15,16)4-2-14/h1-4H2
InChIKeyJDHQTFBCDVZMNW-UHFFFAOYSA-N
XLogP1.16
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 79081645
4,6-Dichloro-5-fluoro-2-(methylsulfonylmethyl)pyrimidine
CID 80550412
3-(4,6-Dichloro-5-fluoropyrimidin-2-yl)-4-methylthiomorpholine
CID 103595147
4-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine
CID 106768032
4-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 106768500
4-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 113875224
4-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
CID 113875248
4,6-Dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine
CID 116633050
4-(6-Chloro-2,5-dimethylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 13393633
Thiomorpholine, 4-(6-chloro-2-ethyl-4-pyrimidinyl)-, 1,1-dioxide
CID 13520756
4-(6-Chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 80970652
4-(6-Chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 80970741

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 71615502) is 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2nc(Cl)nc(Cl)c2F)CC1.
What is the InChIKey of 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is JDHQTFBCDVZMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2FN3O2S/c9-6-5(11)7(13-8(10)12-6)14-1-3-17(15,16)4-2-14/h1-4H2.
What are the key properties of 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 300.14 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 71615502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).