2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione

C7H12N4OS — CID 112606031

IUPAC2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione
SMILESCC(C)OCc1nc(=S)nc(N)[nH]1
InChIInChI=1S/C7H12N4OS/c1-4(2)12-3-5-9-6(8)11-7(13)10-5/h4H,3H2,1-2H3,(H3,8,9,10,11,13)
InChIKeyIXLVZWVXWODGON-UHFFFAOYSA-N
MW200.27 g/mol
LogP1.04
Rot. Bonds3

About 2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione

2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione (PubChem CID 112606031) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione
PubChem CID112606031
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione
SMILESCC(C)OCc1nc(=S)nc(N)[nH]1
InChIInChI=1S/C7H12N4OS/c1-4(2)12-3-5-9-6(8)11-7(13)10-5/h4H,3H2,1-2H3,(H3,8,9,10,11,13)
InChIKeyIXLVZWVXWODGON-UHFFFAOYSA-N
XLogP1.04
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 51.04
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-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione (CID 112606031) is 2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione is CC(C)OCc1nc(=S)nc(N)[nH]1.
What is the InChIKey of 2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione?
The InChIKey is IXLVZWVXWODGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-4(2)12-3-5-9-6(8)11-7(13)10-5/h4H,3H2,1-2H3,(H3,8,9,10,11,13).
What are the key properties of 2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione has a molecular weight of 200.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(propan-2-yloxymethyl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 112606031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).