2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol

C9H16N4O3 — CID 80865413

IUPAC2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol
SMILESCNc1nc(OCCO)nc(OC(C)C)n1
InChIInChI=1S/C9H16N4O3/c1-6(2)16-9-12-7(10-3)11-8(13-9)15-5-4-14/h6,14H,4-5H2,1-3H3,(H,10,11,12,13)
InChIKeyRXVIXIOFJCVUPI-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.07
Rot. Bonds6

About 2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol

2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol (PubChem CID 80865413) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol
PubChem CID80865413
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol
SMILESCNc1nc(OCCO)nc(OC(C)C)n1
InChIInChI=1S/C9H16N4O3/c1-6(2)16-9-12-7(10-3)11-8(13-9)15-5-4-14/h6,14H,4-5H2,1-3H3,(H,10,11,12,13)
InChIKeyRXVIXIOFJCVUPI-UHFFFAOYSA-N
XLogP0.07
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol?
The IUPAC name of 2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol (CID 80865413) is 2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol.
What is the SMILES notation for 2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol?
The canonical SMILES for 2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol is CNc1nc(OCCO)nc(OC(C)C)n1.
What is the InChIKey of 2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol?
The InChIKey is RXVIXIOFJCVUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-6(2)16-9-12-7(10-3)11-8(13-9)15-5-4-14/h6,14H,4-5H2,1-3H3,(H,10,11,12,13).
What are the key properties of 2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol?
2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol has a molecular weight of 228.25 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol is sourced from PubChem (CID 80865413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).