2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione

C9H17N5S — CID 14251376

IUPAC2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione
SMILESCCNc1nc(=S)nc(NC(C)(C)C)[nH]1
InChIInChI=1S/C9H17N5S/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)
InChIKeyXDRGNXNWMORVQP-UHFFFAOYSA-N
MW227.34 g/mol
LogP2.18
Rot. Bonds3

About 2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione

2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione (PubChem CID 14251376) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione
PubChem CID14251376
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC Name2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione
SMILESCCNc1nc(=S)nc(NC(C)(C)C)[nH]1
InChIInChI=1S/C9H17N5S/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)
InChIKeyXDRGNXNWMORVQP-UHFFFAOYSA-N
XLogP2.18
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
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-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione (CID 14251376) is 2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione is CCNc1nc(=S)nc(NC(C)(C)C)[nH]1.
What is the InChIKey of 2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione?
The InChIKey is XDRGNXNWMORVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15).
What are the key properties of 2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione?
2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione has a molecular weight of 227.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 14251376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).