6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine

C13H24N6O — CID 80831082

IUPAC6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCCCN2CCCC2)n1
InChIInChI=1S/C13H24N6O/c1-2-10-20-13-17-11(14)16-12(18-13)15-6-5-9-19-7-3-4-8-19/h2-10H2,1H3,(H3,14,15,16,17,18)
InChIKeyVBWSYFBFVUYFEG-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.14
Rot. Bonds8

About 6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine

6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80831082) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID80831082
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCCCN2CCCC2)n1
InChIInChI=1S/C13H24N6O/c1-2-10-20-13-17-11(14)16-12(18-13)15-6-5-9-19-7-3-4-8-19/h2-10H2,1H3,(H3,14,15,16,17,18)
InChIKeyVBWSYFBFVUYFEG-UHFFFAOYSA-N
XLogP1.14
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
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 6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine (CID 80831082) is 6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NCCCN2CCCC2)n1.
What is the InChIKey of 6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VBWSYFBFVUYFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-2-10-20-13-17-11(14)16-12(18-13)15-6-5-9-19-7-3-4-8-19/h2-10H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 280.38 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80831082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).