2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione

C8H12N4OS — CID 83241537

IUPAC2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(C2CCCOC2)[nH]1
InChIInChI=1S/C8H12N4OS/c9-7-10-6(11-8(14)12-7)5-2-1-3-13-4-5/h5H,1-4H2,(H3,9,10,11,12,14)
InChIKeyHQCJSTBRKAQFMR-UHFFFAOYSA-N
MW212.28 g/mol
LogP1.01
Rot. Bonds1

About 2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione

2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione (PubChem CID 83241537) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione
PubChem CID83241537
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(C2CCCOC2)[nH]1
InChIInChI=1S/C8H12N4OS/c9-7-10-6(11-8(14)12-7)5-2-1-3-13-4-5/h5H,1-4H2,(H3,9,10,11,12,14)
InChIKeyHQCJSTBRKAQFMR-UHFFFAOYSA-N
XLogP1.01
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione with MolForge

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Launch Full Analysis

Related Compounds

2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione
CID 83241763
2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821401
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione
CID 83241211
2-amino-6-[3-(trifluoromethyl)cyclohexyl]-1H-1,3,5-triazine-4-thione
CID 83241432
2-(oxan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475199
4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136964441
2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 55151063
5-(oxan-3-yl)-1H-pyrazol-4-amine
CID 154928122
[2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721251
6-bromo-2-[(3R)-oxan-3-yl]-1H-benzimidazole
CID 70141450
5-(oxan-3-yl)-1H-1,2,4-triazole
CID 172992337
2,6-diamino-1H-1,3,5-triazine-4-thione;sulfane
CID 166793466

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione (CID 83241537) is 2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione is Nc1nc(=S)nc(C2CCCOC2)[nH]1.
What is the InChIKey of 2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione?
The InChIKey is HQCJSTBRKAQFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c9-7-10-6(11-8(14)12-7)5-2-1-3-13-4-5/h5H,1-4H2,(H3,9,10,11,12,14).
What are the key properties of 2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione has a molecular weight of 212.28 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 83241537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).