6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

C8H12N4O2S — CID 21059980

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESNc1cc(N2CCS(=O)(=O)CC2)ncn1
InChIInChI=1S/C8H12N4O2S/c9-7-5-8(11-6-10-7)12-1-3-15(13,14)4-2-12/h5-6H,1-4H2,(H2,9,10,11)
InChIKeyXMXYFYZJOHHKNL-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.71
Rot. Bonds1

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (PubChem CID 21059980) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
PubChem CID21059980
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESNc1cc(N2CCS(=O)(=O)CC2)ncn1
InChIInChI=1S/C8H12N4O2S/c9-7-5-8(11-6-10-7)12-1-3-15(13,14)4-2-12/h5-6H,1-4H2,(H2,9,10,11)
InChIKeyXMXYFYZJOHHKNL-UHFFFAOYSA-N
XLogP-0.71
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (CID 21059980) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is Nc1cc(N2CCS(=O)(=O)CC2)ncn1.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The InChIKey is XMXYFYZJOHHKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c9-7-5-8(11-6-10-7)12-1-3-15(13,14)4-2-12/h5-6H,1-4H2,(H2,9,10,11).
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine has a molecular weight of 228.28 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 21059980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).