2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine

C11H20N6OS — CID 80805026

IUPAC2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(C)C)nc(N2CCS(=O)CC2)n1
InChIInChI=1S/C11H20N6OS/c1-4-12-9-13-10(16(2)3)15-11(14-9)17-5-7-19(18)8-6-17/h4-8H2,1-3H3,(H,12,13,14,15)
InChIKeyNMZGRAKHKIYLOI-UHFFFAOYSA-N
MW284.39 g/mol
LogP-0.06
Rot. Bonds4

About 2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine

2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80805026) has the molecular formula C11H20N6OS and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80805026
Molecular FormulaC11H20N6OS
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC Name2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(C)C)nc(N2CCS(=O)CC2)n1
InChIInChI=1S/C11H20N6OS/c1-4-12-9-13-10(16(2)3)15-11(14-9)17-5-7-19(18)8-6-17/h4-8H2,1-3H3,(H,12,13,14,15)
InChIKeyNMZGRAKHKIYLOI-UHFFFAOYSA-N
XLogP-0.06
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine (CID 80805026) is 2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine is CCNc1nc(N(C)C)nc(N2CCS(=O)CC2)n1.
What is the InChIKey of 2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NMZGRAKHKIYLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6OS/c1-4-12-9-13-10(16(2)3)15-11(14-9)17-5-7-19(18)8-6-17/h4-8H2,1-3H3,(H,12,13,14,15).
What are the key properties of 2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine?
2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 284.39 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80805026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).