4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine

C12H20N4O3S — CID 102882523

IUPAC4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine
SMILESCCCOc1ncnc(N2CCS(=O)(=O)CC2C)c1N
InChIInChI=1S/C12H20N4O3S/c1-3-5-19-12-10(13)11(14-8-15-12)16-4-6-20(17,18)7-9(16)2/h8-9H,3-7,13H2,1-2H3
InChIKeyABFPHVJIZYVLQU-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.47
Rot. Bonds4

About 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine

4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine (PubChem CID 102882523) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine
PubChem CID102882523
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine
SMILESCCCOc1ncnc(N2CCS(=O)(=O)CC2C)c1N
InChIInChI=1S/C12H20N4O3S/c1-3-5-19-12-10(13)11(14-8-15-12)16-4-6-20(17,18)7-9(16)2/h8-9H,3-7,13H2,1-2H3
InChIKeyABFPHVJIZYVLQU-UHFFFAOYSA-N
XLogP0.47
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine?
The IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine (CID 102882523) is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine.
What is the SMILES notation for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine?
The canonical SMILES for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine is CCCOc1ncnc(N2CCS(=O)(=O)CC2C)c1N.
What is the InChIKey of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine?
The InChIKey is ABFPHVJIZYVLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-5-19-12-10(13)11(14-8-15-12)16-4-6-20(17,18)7-9(16)2/h8-9H,3-7,13H2,1-2H3.
What are the key properties of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine?
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine has a molecular weight of 300.38 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propoxypyrimidin-5-amine is sourced from PubChem (CID 102882523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).