2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine

C12H22N6S — CID 103065188

IUPAC2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NC2CCSC2)nc(N(C)C)n1
InChIInChI=1S/C12H22N6S/c1-4-6-13-10-15-11(14-9-5-7-19-8-9)17-12(16-10)18(2)3/h9H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyVOOXSNKIFQOXBG-UHFFFAOYSA-N
MW282.42 g/mol
LogP1.68
Rot. Bonds6

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

2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 103065188) has the molecular formula C12H22N6S and a molecular weight of 282.42 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID103065188
Molecular FormulaC12H22N6S
Molecular Weight282.42 g/mol
Exact Mass282.16
IUPAC Name2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NC2CCSC2)nc(N(C)C)n1
InChIInChI=1S/C12H22N6S/c1-4-6-13-10-15-11(14-9-5-7-19-8-9)17-12(16-10)18(2)3/h9H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyVOOXSNKIFQOXBG-UHFFFAOYSA-N
XLogP1.68
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine (CID 103065188) is 2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(NC2CCSC2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VOOXSNKIFQOXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6S/c1-4-6-13-10-15-11(14-9-5-7-19-8-9)17-12(16-10)18(2)3/h9H,4-8H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 282.42 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 103065188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).