4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine

C11H19N5O3S — CID 80793176

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H19N5O3S/c1-3-4-12-9-13-10(15-11(14-9)19-2)16-5-7-20(17,18)8-6-16/h3-8H2,1-2H3,(H,12,13,14,15)
InChIKeyVAKYCYMMDUIHMR-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.06
Rot. Bonds5

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine

4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80793176) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80793176
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H19N5O3S/c1-3-4-12-9-13-10(15-11(14-9)19-2)16-5-7-20(17,18)8-6-16/h3-8H2,1-2H3,(H,12,13,14,15)
InChIKeyVAKYCYMMDUIHMR-UHFFFAOYSA-N
XLogP-0.06
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-methoxy-6-(1-oxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80804877
4-methoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 80766525
4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine
CID 102887642
4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80765758
[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757527
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532
3-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 122048209
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80825850
1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80766965
4-(3,3-dimethylmorpholin-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80796266
4-ethoxy-6-(4-ethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80780550
4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106795533

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine (CID 80793176) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is VAKYCYMMDUIHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-3-4-12-9-13-10(15-11(14-9)19-2)16-5-7-20(17,18)8-6-16/h3-8H2,1-2H3,(H,12,13,14,15).
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 301.37 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80793176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).