[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane

C10H14F2N3O2PS — CID 170234495

IUPAC[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane
SMILESCc1cnc(N2CCS(=O)(=O)CC2)nc1C(F)(F)P
InChIInChI=1S/C10H14F2N3O2PS/c1-7-6-13-9(14-8(7)10(11,12)18)15-2-4-19(16,17)5-3-15/h6H,2-5,18H2,1H3
InChIKeyGAJDAFMEZBRZMU-UHFFFAOYSA-N
MW309.28 g/mol
LogP0.94
Rot. Bonds2

About [[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane

[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane (PubChem CID 170234495) has the molecular formula C10H14F2N3O2PS and a molecular weight of 309.28 g/mol. Its IUPAC name is [[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane.

Molecular Properties

Compound Name[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane
PubChem CID170234495
Molecular FormulaC10H14F2N3O2PS
Molecular Weight309.28 g/mol
Exact Mass309.05
IUPAC Name[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane
SMILESCc1cnc(N2CCS(=O)(=O)CC2)nc1C(F)(F)P
InChIInChI=1S/C10H14F2N3O2PS/c1-7-6-13-9(14-8(7)10(11,12)18)15-2-4-19(16,17)5-3-15/h6H,2-5,18H2,1H3
InChIKeyGAJDAFMEZBRZMU-UHFFFAOYSA-N
XLogP0.94
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane?
The IUPAC name of [[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane (CID 170234495) is [[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane.
What is the SMILES notation for [[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane?
The canonical SMILES for [[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane is Cc1cnc(N2CCS(=O)(=O)CC2)nc1C(F)(F)P.
What is the InChIKey of [[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane?
The InChIKey is GAJDAFMEZBRZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N3O2PS/c1-7-6-13-9(14-8(7)10(11,12)18)15-2-4-19(16,17)5-3-15/h6H,2-5,18H2,1H3.
What are the key properties of [[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane?
[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane has a molecular weight of 309.28 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylpyrimidin-4-yl]-difluoromethyl]phosphane is sourced from PubChem (CID 170234495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).