4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine

C13H22N4O3 — CID 80876739

IUPAC4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C)C)nc(OC2CCOC2)n1
InChIInChI=1S/C13H22N4O3/c1-4-6-14-11-15-12(19-9(2)3)17-13(16-11)20-10-5-7-18-8-10/h9-10H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyXSSIITONNXVULX-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.65
Rot. Bonds7

About 4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine

4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80876739) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80876739
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C)C)nc(OC2CCOC2)n1
InChIInChI=1S/C13H22N4O3/c1-4-6-14-11-15-12(19-9(2)3)17-13(16-11)20-10-5-7-18-8-10/h9-10H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyXSSIITONNXVULX-UHFFFAOYSA-N
XLogP1.65
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine (CID 80876739) is 4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC(C)C)nc(OC2CCOC2)n1.
What is the InChIKey of 4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is XSSIITONNXVULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-4-6-14-11-15-12(19-9(2)3)17-13(16-11)20-10-5-7-18-8-10/h9-10H,4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 282.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80876739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).