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

C11H20N6OS — CID 80804954

IUPAC4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(N2CCS(=O)CC2)n1
InChIInChI=1S/C11H20N6OS/c1-3-16(4-2)10-13-9(12)14-11(15-10)17-5-7-19(18)8-6-17/h3-8H2,1-2H3,(H2,12,13,14,15)
InChIKeyWCERXWPHZINZFX-UHFFFAOYSA-N
MW284.39 g/mol
LogP-0.13
Rot. Bonds4

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

4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80804954) has the molecular formula C11H20N6OS and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80804954
Molecular FormulaC11H20N6OS
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC Name4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(N2CCS(=O)CC2)n1
InChIInChI=1S/C11H20N6OS/c1-3-16(4-2)10-13-9(12)14-11(15-10)17-5-7-19(18)8-6-17/h3-8H2,1-2H3,(H2,12,13,14,15)
InChIKeyWCERXWPHZINZFX-UHFFFAOYSA-N
XLogP-0.13
TPSA88.24 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 ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
6-(4,4-dimethylpiperidin-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80824382
4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80805197
4-N,4-N-diethyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80797361
4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80855576
1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
CID 106674471
4-N-ethyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80814474
4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-2-one
CID 80842578
4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80789831
4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 107403125
6-[3-(dimethylamino)piperidin-1-yl]-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80833498
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

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine (CID 80804954) is 4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(N2CCS(=O)CC2)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WCERXWPHZINZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6OS/c1-3-16(4-2)10-13-9(12)14-11(15-10)17-5-7-19(18)8-6-17/h3-8H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-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 -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80804954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).