6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine

C9H14N4O2S — CID 80792967

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C9H14N4O2S/c1-7-11-8(10)6-9(12-7)13-2-4-16(14,15)5-3-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyIQSOLWFHUBCXBP-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.40
Rot. Bonds1

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine

6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine (PubChem CID 80792967) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine
PubChem CID80792967
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C9H14N4O2S/c1-7-11-8(10)6-9(12-7)13-2-4-16(14,15)5-3-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyIQSOLWFHUBCXBP-UHFFFAOYSA-N
XLogP-0.40
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.40
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)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine (CID 80792967) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine is Cc1nc(N)cc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine?
The InChIKey is IQSOLWFHUBCXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-7-11-8(10)6-9(12-7)13-2-4-16(14,15)5-3-13/h6H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine?
6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine has a molecular weight of 242.30 g/mol, XLogP of -0.40, 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)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80792967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).