2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione

C9H17N5S — CID 898985

IUPAC2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione
SMILESCC(C)CNc1nc(=S)nc(N(C)C)[nH]1
InChIInChI=1S/C9H17N5S/c1-6(2)5-10-7-11-8(14(3)4)13-9(15)12-7/h6H,5H2,1-4H3,(H2,10,11,12,13,15)
InChIKeyYLZRNRWGAGTTPU-UHFFFAOYSA-N
MW227.34 g/mol
LogP1.67
Rot. Bonds4

About 2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione

2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione (PubChem CID 898985) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione
PubChem CID898985
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC Name2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione
SMILESCC(C)CNc1nc(=S)nc(N(C)C)[nH]1
InChIInChI=1S/C9H17N5S/c1-6(2)5-10-7-11-8(14(3)4)13-9(15)12-7/h6H,5H2,1-4H3,(H2,10,11,12,13,15)
InChIKeyYLZRNRWGAGTTPU-UHFFFAOYSA-N
XLogP1.67
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione (CID 898985) is 2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione is CC(C)CNc1nc(=S)nc(N(C)C)[nH]1.
What is the InChIKey of 2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione?
The InChIKey is YLZRNRWGAGTTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c1-6(2)5-10-7-11-8(14(3)4)13-9(15)12-7/h6H,5H2,1-4H3,(H2,10,11,12,13,15).
What are the key properties of 2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione?
2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione has a molecular weight of 227.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 898985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).