4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C11H20N6O2S — CID 80786050

IUPAC4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NC2CCS(=O)(=O)C2)nc(N(C)C)n1
InChIInChI=1S/C11H20N6O2S/c1-4-12-9-14-10(16-11(15-9)17(2)3)13-8-5-6-20(18,19)7-8/h8H,4-7H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyNLJLJJGSMMXDAQ-UHFFFAOYSA-N
MW300.39 g/mol
LogP-0.03
Rot. Bonds5

About 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80786050) has the molecular formula C11H20N6O2S and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80786050
Molecular FormulaC11H20N6O2S
Molecular Weight300.39 g/mol
Exact Mass300.14
IUPAC Name4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NC2CCS(=O)(=O)C2)nc(N(C)C)n1
InChIInChI=1S/C11H20N6O2S/c1-4-12-9-14-10(16-11(15-9)17(2)3)13-8-5-6-20(18,19)7-8/h8H,4-7H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyNLJLJJGSMMXDAQ-UHFFFAOYSA-N
XLogP-0.03
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

6-N-ethyl-2-N,2-N-dimethyl-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 80771442
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80827383
6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62862839
4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563891
5-chloro-4-N-(1,1-dioxothiolan-3-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80784884
6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62864188
4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324303
4-N-cyclohexyl-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80766155
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111
6-N-ethyl-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 80818617
2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80797993
2-N-[2-(dimethylamino)ethyl]-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-2,4-diamine
CID 112887148

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 80786050) is 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NC2CCS(=O)(=O)C2)nc(N(C)C)n1.
What is the InChIKey of 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NLJLJJGSMMXDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2S/c1-4-12-9-14-10(16-11(15-9)17(2)3)13-8-5-6-20(18,19)7-8/h8H,4-7H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 300.39 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80786050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).