4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C12H22N4O3 — CID 112590935

IUPAC4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(OCCOC(C)(C)C)n1
InChIInChI=1S/C12H22N4O3/c1-8(2)19-11-15-9(13)14-10(16-11)17-6-7-18-12(3,4)5/h8H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyBFIVYBSKMNJEAH-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.43
Rot. Bonds6

About 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 112590935) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID112590935
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(OCCOC(C)(C)C)n1
InChIInChI=1S/C12H22N4O3/c1-8(2)19-11-15-9(13)14-10(16-11)17-6-7-18-12(3,4)5/h8H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyBFIVYBSKMNJEAH-UHFFFAOYSA-N
XLogP1.43
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 112590935) is 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(N)nc(OCCOC(C)(C)C)n1.
What is the InChIKey of 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is BFIVYBSKMNJEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-8(2)19-11-15-9(13)14-10(16-11)17-6-7-18-12(3,4)5/h8H,6-7H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 270.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 112590935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).