4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C10H18N6S2 — CID 113489654

IUPAC4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCC2CSCCS2)n1
InChIInChI=1S/C10H18N6S2/c1-16(2)10-14-8(11)13-9(15-10)12-5-7-6-17-3-4-18-7/h7H,3-6H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyNXHKTXKTRKMPMP-UHFFFAOYSA-N
MW286.43 g/mol
LogP0.78
Rot. Bonds4

About 4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 113489654) has the molecular formula C10H18N6S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID113489654
Molecular FormulaC10H18N6S2
Molecular Weight286.43 g/mol
Exact Mass286.10
IUPAC Name4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCC2CSCCS2)n1
InChIInChI=1S/C10H18N6S2/c1-16(2)10-14-8(11)13-9(15-10)12-5-7-6-17-3-4-18-7/h7H,3-6H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyNXHKTXKTRKMPMP-UHFFFAOYSA-N
XLogP0.78
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 113489654) is 4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(NCC2CSCCS2)n1.
What is the InChIKey of 4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NXHKTXKTRKMPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6S2/c1-16(2)10-14-8(11)13-9(15-10)12-5-7-6-17-3-4-18-7/h7H,3-6H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 286.43 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 113489654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).