4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine

C8H11FN4O2S — CID 80792827

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C8H11FN4O2S/c9-6-5-11-8(10)12-7(6)13-1-3-16(14,15)4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyTXISIYINMUPKBJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.57
Rot. Bonds1

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine

4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine (PubChem CID 80792827) has the molecular formula C8H11FN4O2S and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine
PubChem CID80792827
Molecular FormulaC8H11FN4O2S
Molecular Weight246.27 g/mol
Exact Mass246.06
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C8H11FN4O2S/c9-6-5-11-8(10)12-7(6)13-1-3-16(14,15)4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyTXISIYINMUPKBJ-UHFFFAOYSA-N
XLogP-0.57
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine (CID 80792827) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is TXISIYINMUPKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O2S/c9-6-5-11-8(10)12-7(6)13-1-3-16(14,15)4-2-13/h5H,1-4H2,(H2,10,11,12).
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 246.27 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80792827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).