2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione

C8H15N5S — CID 1233632

IUPAC2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione
SMILESCCNc1nc(=S)nc(NC(C)C)[nH]1
InChIInChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)
InChIKeyBAAMDWUVIPLPOL-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.79
Rot. Bonds4

About 2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione

2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione (PubChem CID 1233632) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione
PubChem CID1233632
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione
SMILESCCNc1nc(=S)nc(NC(C)C)[nH]1
InChIInChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)
InChIKeyBAAMDWUVIPLPOL-UHFFFAOYSA-N
XLogP1.79
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.79
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-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione (CID 1233632) is 2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione is CCNc1nc(=S)nc(NC(C)C)[nH]1.
What is the InChIKey of 2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione?
The InChIKey is BAAMDWUVIPLPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14).
What are the key properties of 2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione?
2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione has a molecular weight of 213.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 1233632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).