6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine

C8H7BrFN3S — CID 178113169

IUPAC6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine
SMILESFc1cncnc1N1C=C(Br)SCC1
InChIInChI=1S/C8H7BrFN3S/c9-7-4-13(1-2-14-7)8-6(10)3-11-5-12-8/h3-5H,1-2H2
InChIKeyUUMPQGDGQMQHGL-UHFFFAOYSA-N
MW276.13 g/mol
LogP2.36
Rot. Bonds1

About 6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine

6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine (PubChem CID 178113169) has the molecular formula C8H7BrFN3S and a molecular weight of 276.13 g/mol. Its IUPAC name is 6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine.

Molecular Properties

Compound Name6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine
PubChem CID178113169
Molecular FormulaC8H7BrFN3S
Molecular Weight276.13 g/mol
Exact Mass274.95
IUPAC Name6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine
SMILESFc1cncnc1N1C=C(Br)SCC1
InChIInChI=1S/C8H7BrFN3S/c9-7-4-13(1-2-14-7)8-6(10)3-11-5-12-8/h3-5H,1-2H2
InChIKeyUUMPQGDGQMQHGL-UHFFFAOYSA-N
XLogP2.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine?
The IUPAC name of 6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine (CID 178113169) is 6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine.
What is the SMILES notation for 6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine?
The canonical SMILES for 6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine is Fc1cncnc1N1C=C(Br)SCC1.
What is the InChIKey of 6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine?
The InChIKey is UUMPQGDGQMQHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN3S/c9-7-4-13(1-2-14-7)8-6(10)3-11-5-12-8/h3-5H,1-2H2.
What are the key properties of 6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine?
6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine has a molecular weight of 276.13 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(5-fluoropyrimidin-4-yl)-2,3-dihydro-1,4-thiazine is sourced from PubChem (CID 178113169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).